SCHEMBL16979283

SCHEMBL16979283

O=C1CC2(CCCN(C(=O)OCc3ccccc3)C2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.51
CYP2D6 P10635 8/20 0.51
CYP1A2 P05177 7/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 4/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ENPP2 Q13822 1/20 0.47
ATXN2 Q99700 1/20 0.47
TSHR P16473 6/20 0.46
USP2 O75604 4/20 0.46
MAPK1 P28482 1/20 0.46
ACACB O00763 1/20 0.45
ALDH1A1 P00352 3/20 0.45
HIF1A Q16665 1/20 0.44
RECQL P46063 1/20 0.43

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
SCHEMBL15268978 0.90 CYP3A4 (0.55) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL15636331 0.87 MEN1 (0.54) CYP2C19MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL12683551 0.84 ENPP2 (0.56) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL2674601 0.84 MEN1 (0.58) CYP3A4CYP2D6CYP2C19MEN1KMT2A
SCHEMBL15155574 0.84 SMN1; SMN2 (0.51) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL2727354 0.84 CYP3A4 (0.58) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL18132013 0.84 CYP3A4 (0.46) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL16678836 0.83 CYP3A4 (0.57) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL29080168 0.83 CYP3A4 (0.49) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL17518850 0.83 CYP3A4 (0.69) CYP3A4CYP2D6CYP1A2CYP2C19CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-25 US disclosed
US-12398154-B2 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-08-26 US disclosed
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 EP disclosed
CN-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 CN disclosed
US-20230072276-A1 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. 2023-03-09 US disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 WO disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-9828364-B2 Pyrazole compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-11-28 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
US-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-11-24 US disclosed
WO-2015116485-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-06 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 (4 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-20160340339-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN CYP3A4 779/4885CYP2D6 930/4885CYP1A2 1149/4885
US-20230072276-A1 Azaquinazoline pan-KRas inhibitors KRAS, NRAS, HRAS CYP3A4 3117/4885CYP2D6 3574/4885CYP1A2 4465/4885
US-12398154-B2 Azaquinazoline pan-KRas inhibitors KRAS, NRAS, HRAS CYP3A4 3117/4885CYP2D6 3574/4885CYP1A2 4465/4885
US-20250388606-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS CYP3A4 2558/4885CYP2D6 2545/4885CYP1A2 3852/4885

“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.