SCHEMBL16636989

SCHEMBL16636989

Clc1cc2c(Cl)ncnc2cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ENPP1 P22413 3/20 0.42
AHR P35869 3/20 0.39
EGFR P00533 5/20 0.35
FBP1 P09467 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DYRK1A Q13627 1/20 0.33
AXL P30530 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL29612122 1.00 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL855424 0.92 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL4073470 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL16636945 0.81 AHR (0.36) AHREGFRFBP1SMN1; SMN2MKNK1
SCHEMBL29697467 0.81 AHR (0.36) AHREGFRFBP1SMN1; SMN2MKNK1
SCHEMBL21456839 0.81 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL2621720 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL30562904 0.77 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL20355487 0.77 ENPP1 (0.44) PDE4APDE4BPDE4CPDE4DENPP1
SCHEMBL858670 0.77 ENPP1 (0.63) ENPP1EGFRMKNK1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20250059163-A1 FUSED RING COMPOUNDS GENENTECH INC (US) 2025-02-20 US disclosed
EP-4483881-A2 FUSED RING COMPOUNDS F. Hoffmann-La Roche AG (CH) 2025-01-01 EP disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
EP-3735299-B1 FUSED RING COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-10-02 EP disclosed
US-12084429-B2 Fused ring compounds GENENTECH, INC. (US) 2024-09-10 US disclosed
CN-118084867-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084870-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084866-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
CN-118084868-A Condensed ring compound 豪夫迈·罗氏有限公司 2024-05-28 CN disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 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 (6 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-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS PDE4A 3216/4885PDE4B 3291/4885PDE4C 3260/4885
US-12084429-B2 Fused ring compounds KRAS, NRAS, HRAS PDE4A 3361/4885PDE4B 2906/4885PDE4C 3607/4885
US-20250059163-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS PDE4A 3361/4885PDE4B 2906/4885PDE4C 3607/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDE4A 2832/4885PDE4B 2697/4885PDE4C 3099/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PDE4A 2857/4885PDE4B 2775/4885PDE4C 3264/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS PDE4A 2775/4885PDE4B 2649/4885PDE4C 2916/4885

“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.