SCHEMBL21315097

SCHEMBL21315097

O=C(O)N1CCN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.48
CFTR P13569 5/20 0.48
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BRS3 P32247 11/20 0.45
PARP1 P09874 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL19616741 0.86 C5AR1 (0.47) C5AR1CFTRBRS3
SCHEMBL25196759 0.86 KDM4E (0.58) C5AR1KDM4EALDH1A1HPGDHIF1A
SCHEMBL22440265 0.84 C5AR1 (0.46) C5AR1CFTRKDM4EALDH1A1HPGD
SCHEMBL19947816 0.83 C5AR1 (0.44) C5AR1CFTRKDM4EALDH1A1HPGD
SCHEMBL1831098 0.83 BRS3 (0.57) C5AR1KDM4EALDH1A1HPGDHIF1A
SCHEMBL19948738 0.83 C5AR1 (0.45) C5AR1CFTRKDM4EALDH1A1HPGD
SCHEMBL19948214 0.83 C5AR1 (0.45) C5AR1CFTRKDM4EALDH1A1HPGD
SCHEMBL25324710 0.83 C5AR1 (0.44) C5AR1CFTRKDM4EALDH1A1HPGD
SCHEMBL22440319 0.81 C5AR1 (0.46) C5AR1CFTRKDM4EALDH1A1BRS3
SCHEMBL23075017 0.81 TLR9 (0.44) C5AR1BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN disclosed
US-10647715-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-05-12 US disclosed
US-20190270743-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-09-05 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 (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-10647715-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885KDM4E 3689/4885
US-20190270743-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885KDM4E 3689/4885

“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.