SCHEMBL8404384

SCHEMBL8404384

Cc1ccc2cnc(C)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.54
ALDH1A1 P00352 7/20 0.48
CYP2A6 P11509 3/20 0.44
NQO2 P16083 1/20 0.43
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
NCK1 P16333 1/20 0.39
BACE1 P56817 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8404380 0.83 CYP1A2 (0.52) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL22968487 0.80 PDE10A (0.42) CYP1A2ALDH1A1KMT2ANPSR1KDM4E
SCHEMBL30673769 0.79 MAPT (0.43) CYP1A2CYP2A6KMT2ABACE1KDM4E
SCHEMBL22449721 0.79 CYP1A2 (0.50) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL19006709 0.79 TYMS (0.35) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL12361590 0.79 ESR2 (0.46) CYP1A2ALDH1A1KMT2AGAAKDM4E
SCHEMBL30908162 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL18630333 0.79 CYP1A2 (0.50) CYP1A2ALDH1A1CYP2A6NQO2KMT2A
SCHEMBL31271736 0.79 BACE1 (0.47) CYP1A2ALDH1A1CYP2A6NQO2NPSR1
SCHEMBL6833410 0.79 BACE1 (0.47) CYP1A2ALDH1A1CYP2A6NQO2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421222-B2 Substituted quinazolines as HDAC6 inhibitors AUGUSTINE THERAPEUTICS (BE) 2025-09-23 US disclosed
US-20250145604-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-05-08 US disclosed
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2025-02-13 US disclosed
US-11744146-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-11667667-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-06-06 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-07-05 US disclosed
US-20210040140-A1 Steroid Derivative FXR Agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-02-11 US disclosed
US-10875888-B2 Steroid derivative FXR agonist CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-12-29 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
EP-2439204-A1 HETEROCYCLIC COMPOUND AND HEMATOPOIETIC STEM CELL AMPLIFIER Nissan Chemical Industries, Ltd. (JP) 2012-04-11 EP disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
EP-2218716-A1 METHOD FOR AMPLIFYING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2010-08-18 EP disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-4871848-A OIL, GAS WELLS CORROSION INHIBITORS THE DOW CHEMICAL COMPANY (US) 1989-10-03 US disclosed
US-4740320-A REACTION OF NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPONENT, KETONE OR ALDEHYDE, AMINE OR POLYAMINE THE DOW CHEMICAL COMPANY (US) 1988-04-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS CYP1A2 4522/4885ALDH1A1 2214/4885CYP2A6 4025/4885
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MTOR, RICTOR, MAPKAP1 CYP1A2 667/4885ALDH1A1 3345/4885CYP2A6 922/4885
US-20250051319-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 CYP1A2 3088/4885ALDH1A1 608/4885CYP2A6 2632/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 CYP1A2 2162/4885ALDH1A1 291/4885CYP2A6 2056/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CYP1A2 2808/4885ALDH1A1 256/4885CYP2A6 2755/4885
US-20250145604-A1 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS HDAC6, HDAC9, HDAC1 CYP1A2 3088/4885ALDH1A1 608/4885CYP2A6 2632/4885
US-11667667-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 CYP1A2 266/4885ALDH1A1 1991/4885CYP2A6 442/4885
US-11744146-B2 Amine-based compound and organic light-emitting device including the same AOC2, AOC1, EML4 CYP1A2 456/4885ALDH1A1 76/4885CYP2A6 2759/4885
US-12421222-B2 Substituted quinazolines as HDAC6 inhibitors HDAC6, HDAC9, HDAC1 CYP1A2 2671/4885ALDH1A1 850/4885CYP2A6 2793/4885
US-20210040140-A1 Steroid Derivative FXR Agonist NR1H4, SLC10A1, FXR1 CYP1A2 266/4885ALDH1A1 1991/4885CYP2A6 442/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 CYP1A2 3219/4885ALDH1A1 4226/4885CYP2A6 3698/4885
US-10875888-B2 Steroid derivative FXR agonist NR1H4, SLC10A1, FXR1 CYP1A2 266/4885ALDH1A1 1991/4885CYP2A6 442/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.