SCHEMBL26697698

SCHEMBL26697698

COc1cnc(C#N)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.51
HPGDS O60760 1/20 0.38
PLA2G2A P14555 1/20 0.37
MAPT P10636 5/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ADORA1 P30542 2/20 0.36
USP8 P40818 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29935957 1.00 PIK3CD (0.51) PIK3CDHPGDSPLA2G2AMAPTKMT2A
SCHEMBL362305 0.79 SRC (0.39) HPGDSMAPTKMT2AALDH1A1USP8
SCHEMBL10325263 0.79 HPGDS (0.39) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL1846308 0.79 HPGDS (0.39) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL18036083 0.78 CYP11B1 (0.44) PIK3CDHPGDSMAPTALDH1A1USP8
SCHEMBL1006358 0.78 MAPT (0.46) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL30976940 0.77 PIK3CD (0.47) PIK3CDKMT2AALDH1A1MEN1ADORA1
SCHEMBL23482226 0.75 USP8 (0.37) PIK3CDHPGDSMAPTKMT2AALDH1A1
SCHEMBL23458907 0.75 HPGDS (0.36) PIK3CDHPGDSMAPTALDH1A1USP8
SCHEMBL29919284 0.75 HPGDS (0.36) PIK3CDHPGDSMAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2024-10-03 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
WO-2024140679-A1 SPIROCYCLIC HPK1 ANTAGONISTS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-07-04 WO disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. 2022-11-17 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 (3 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-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 PIK3CD 269/4885HPGDS 1073/4885PLA2G2A 4133/4885
US-20220363696-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 PIK3CD 160/4885HPGDS 1048/4885PLA2G2A 4156/4885
US-20240327435-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS EGFR, ERBB2, ERBB4 PIK3CD 160/4885HPGDS 1048/4885PLA2G2A 4156/4885

“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.