SCHEMBL19948656

SCHEMBL19948656

C[C@@H]1CN(c2nc(Cl)nc3c2CCN(Cc2ccccc2)C3)[C@@H](C)CN1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.45
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CFTR P13569 4/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
BRS3 P32247 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.37
ADORA1 P30542 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL15105207 0.93 C5AR1 (0.53) C5AR1CFTRALDH1A1GAAKMT2A
SCHEMBL15105208 0.93 C5AR1 (0.53) C5AR1CFTRALDH1A1GAAKMT2A
SCHEMBL15105209 0.93 C5AR1 (0.53) C5AR1CFTRALDH1A1GAAKMT2A
SCHEMBL28651981 0.91 PARP1 (0.38) C5AR1PARP1TNKS2PARP2CFTR
SCHEMBL29246230 0.89 C5AR1 (0.43) C5AR1PARP1TNKS2PARP2CFTR
SCHEMBL30188509 0.89 C5AR1 (0.43) C5AR1PARP1TNKS2PARP2CFTR
SCHEMBL19959340 0.89 C5AR1 (0.43) C5AR1PARP1TNKS2PARP2CFTR
SCHEMBL29246231 0.89 C5AR1 (0.43) C5AR1PARP1TNKS2PARP2CFTR
SCHEMBL19948738 0.87 C5AR1 (0.45) C5AR1PARP1TNKS2PARP2CFTR
SCHEMBL19948214 0.87 C5AR1 (0.45) C5AR1PARP1TNKS2PARP2CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US 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 (7 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 4146/4885PARP1 1128/4885TNKS2 1404/4885
US-10633381-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885PARP1 1128/4885TNKS2 1404/4885
US-20200262837-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885PARP1 1128/4885TNKS2 1404/4885
US-10125134-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885PARP1 1128/4885TNKS2 1404/4885
US-10689377-B2 KRas G12C inhibitors KRAS, NRAS, HRAS C5AR1 4146/4885PARP1 1128/4885TNKS2 1404/4885
US-20180072723-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885PARP1 1128/4885TNKS2 1404/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS C5AR1 4146/4885PARP1 1128/4885TNKS2 1404/4885

“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.