SCHEMBL19948738

SCHEMBL19948738

C[C@@H]1CN(C(=O)O)CCN1c1nc(Cl)nc2c1CCN(Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
CFTR P13569 4/20 0.39
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 1/20 0.38
SMO Q99835 4/20 0.38
CHRM4 P08173 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
BRS3 P32247 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL19948214 1.00 C5AR1 (0.45) C5AR1CFTRPARP1TNKS2PARP2
SCHEMBL19959331 0.89 C5AR1 (0.43) C5AR1CHRM4KDM4EALDH1A1GAA
SCHEMBL30189197 0.89 C5AR1 (0.43) C5AR1CHRM4KDM4EALDH1A1GAA
SCHEMBL30188729 0.89 C5AR1 (0.43) C5AR1CHRM4KDM4EALDH1A1GAA
SCHEMBL19959345 0.89 C5AR1 (0.43) C5AR1CHRM4KDM4EALDH1A1GAA
SCHEMBL19948656 0.87 C5AR1 (0.45) C5AR1CFTRPARP1TNKS2PARP2
SCHEMBL15105402 0.86 C5AR1 (0.52) C5AR1CFTRALDH1A1GAAKMT2A
SCHEMBL15105401 0.86 C5AR1 (0.52) C5AR1CFTRALDH1A1GAAKMT2A
SCHEMBL23075026 0.84 GPR119 (0.42) C5AR1PARP1CHRM4MAPT
SCHEMBL21315097 0.83 C5AR1 (0.48) C5AR1CFTRPARP1TNKS2PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
US-20200262837-A1 KRAS G12C INHIBITORS ARRAY BIOPHARMA INC. 2020-08-20 US disclosed
US-10689377-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-06-23 US disclosed
US-10633381-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2020-04-28 US disclosed
US-20190144444-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2019-05-16 US disclosed
US-10125134-B2 KRas G12C inhibitors Mirati Therapeutics, Inc. (US) 2018-11-13 US disclosed
US-20180072723-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2018-03-15 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 (8 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-20190144444-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885CFTR 95/4885PARP1 1128/4885

“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.