SCHEMBL8404367

SCHEMBL8404367

Cc1ccc2[nH]ccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.40
PARP1 P09874 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
TSHR P16473 1/20 0.38
P2RX7 Q99572 2/20 0.37
ATM Q13315 1/20 0.37
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
RHEB Q15382 1/20 0.34
HTR1D P28221 3/20 0.34
HTR1B P28222 3/20 0.34
PIK3CD O00329 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
DHFR P00374 1/20 0.33
PDE2A O00408 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL31005469 0.77 P2RX7 (0.38) AHRPARP1CYP1A2P2RX7ATM
SCHEMBL2976758 0.77 AHR (0.38) AHRPARP1CYP2A6P2RX7RHEB
SCHEMBL724626 0.77 AHR (0.38) AHRPARP1TSHRP2RX7RHEB
SCHEMBL13442150 0.77 AHR (0.42) AHRPARP1ATMAXLPRKCI
SCHEMBL8246801 0.77 AHR (0.38) AHRPARP1CYP2A6ATMAXL
SCHEMBL3248883 0.77 TYR (0.38) AHRPARP1P2RX7ATMRHEB
SCHEMBL8995172 0.77 AHR (0.52) AHRPARP1CYP2A6P2RX7PRKCI
SCHEMBL8529419 0.77 AXL (0.48) AHRPARP1P2RX7AXLPRKCI
SCHEMBL63525 0.77 AHR (0.47) AHRPARP1CYP2A6ATMAXL
SCHEMBL29415607 0.77 TYR (0.38) AHRPARP1P2RX7ATMRHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4328229-A2 SUBSTITUTED HETEROCYCLIC FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-02-28 EP disclosed
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-11193065-B2 Liquid crystal composition, method of producing the same, and retardation film constituted from the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-12-07 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
EP-3792251-A1 NOVEL SULFONYLAMINOBENZAMIDE COMPOUNDS AS ANTHELMINTICS Elanco Tiergesundheit AG (CH) 2021-03-17 EP disclosed
EP-3283462-B1 FUSED-TRICYCLIC INHIBITORS OF KRAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2020-12-02 EP disclosed
US-20200165519-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND RETARDATION PLATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-28 US disclosed
WO-2020028706-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-02-06 WO disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20190276744-A1 LIQUID CRYSTAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-09-12 US disclosed
US-4973706-A OXIDATION OF INDOLE WITH HYDROPEROXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-11-27 US disclosed
US-4966977-A PEROXIDATION OF INDOLE COMPOUND MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-10-30 US disclosed
CN-1042553-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1990-05-30 CN disclosed
EP-0368508-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-16 EP disclosed
CN-1037527-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-11-29 CN disclosed
EP-0339887-A1 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-11-02 EP disclosed
EP-0335524-A2 Process for the preparation of indigo compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-10-04 EP disclosed
CN-1036025-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-10-04 CN disclosed
CN-1035521-A The preparation method of indigo compound MITSUI TOATSU CHEMICALS (JP) 1989-09-13 CN disclosed
EP-0330419-A2 Process for the preparation of indigo compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 EP 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 (2 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-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS AHR 3106/4885PARP1 1522/4885CYP1A2 4727/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 AHR 1825/4885PARP1 1818/4885CYP1A2 1787/4885

“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.