SCHEMBL558543

SCHEMBL558543

Clc1nc(Cl)c2cccc(Br)c2n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
ALDH1A1 P00352 1/20 0.44
BACE1 P56817 2/20 0.37
ADORA1 P30542 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
GRM2 Q14416 5/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
AR P10275 1/20 0.32
PDPK1 O15530 1/20 0.32
PTGES O14684 2/20 0.31
PRNP P04156 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31

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
SCHEMBL29663394 0.81 HTT (0.46) ENPP3ENPP1ALDH1A1BACE1ADORA1
SCHEMBL5753222 0.81 ENPP3 (0.45) ENPP3ENPP1ALDH1A1BACE1ADORA1
SCHEMBL558306 0.81 HTT (0.46) ENPP3ENPP1ALDH1A1BACE1ADORA1
SCHEMBL6026073 0.81 ALDH1A1 (0.49) ENPP3ENPP1ALDH1A1BACE1ADORA1
SCHEMBL29417321 0.79 NR4A2 (0.46) MAPTPTGESCYP1A2CYP2A6
SCHEMBL2916780 0.79 NR4A2 (0.46) MAPTPTGESCYP1A2CYP2A6
SCHEMBL8442820 0.77 ENPP1 (0.61) ENPP3ENPP1ALDH1A1BACE1ADORA1
SCHEMBL17883979 0.77 ALDH1A1 (0.46) ENPP3ENPP1ALDH1A1MAPTGAA
SCHEMBL38658584 0.77 ENPP3 (0.42) ENPP3ENPP1ALDH1A1BACE1ADORA1
SCHEMBL1992328 0.76 ELANE (0.44) ALDH1A1MAPTSMN1; SMN2GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026098683-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2026-05-15 WO disclosed
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA INC (US) 2026-04-16 US disclosed
EP-4724430-A1 CONDENSED AZINES AS INHIBITORS OF CYCLIC ADP RIBOSE HYDROLASE Flagship Pioneering Innovations VI, LLC (US) 2026-04-15 EP disclosed
US-20260042754-A1 Substituted Bicyclic Heteroaryl Sulfonamide Derivatives for the Treatment of Cancer NODUS ONCOLOGY LIMITED (GB) 2026-02-12 US disclosed
EP-3508204-B1 QUINAZOLIN-8-YL DERIVATIVES FOR USE IN METHODS OF TREATING MELANOMA, NON-SMALL CELL LUNG CANCER, THYROID CANCER, OVARIAN CANCER, OR COLON CANCER NEUPHARMA INC (US) 2026-02-11 EP disclosed
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
EP-4658657-A1 SUBSTITUTED TRICYCLIC COMPOUNDS Mirati Therapeutics, Inc. (US) 2025-12-10 EP disclosed
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC (US) 2025-09-02 US disclosed
EP-4562002-A1 SUBSTITUTED BICYCLIC HETEROARYL SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF CANCER Nodus Oncology Limited (GB) 2025-06-04 EP disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
EP-1218358-B1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 EP disclosed
EP-1218358-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2002-07-03 EP disclosed
US-6399603-B1 QUINAZOLINES; RETARDING APOPTOSIS IN CELLS; INHIBITING CLEAVAGE OF PROTEIN SUBSTRATES BY CASPASE-3; CHEMICAL AND HYDROLYTIC STABILITY ASTRAZENECA AB (SE) 2002-06-04 US disclosed
WO-2001021598-A1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2001-03-29 WO 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 (5 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-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 ENPP3 4402/4885ENPP1 4123/4885ALDH1A1 1098/4885
US-12403145-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 ENPP3 1464/4885ENPP1 1488/4885ALDH1A1 3691/4885
US-20260042754-A1 Substituted Bicyclic Heteroaryl Sulfonamide Derivatives for the Treatment of Cancer CBR1, CBR3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ENPP3 3742/4885ENPP1 3621/4885ALDH1A1 997/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 ENPP3 1192/4885ENPP1 574/4885ALDH1A1 3837/4885
US-20260102406-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY BRAF, TTK, MAP4K2 ENPP3 3500/4885ENPP1 3320/4885ALDH1A1 3080/4885

“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.