SCHEMBL24569478

SCHEMBL24569478

Cc1c(Oc2ccc3c(c2)ncn3C)ccc(N)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
ERBB2 P04626 10/20 0.43
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
EGFR P00533 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NOTUM Q6P988 1/20 0.36
FGFR1 P11362 1/20 0.36
GRM5 P41594 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL29887844 1.00 KMT2A (0.44) KMT2AGAAHPGDERBB2DDB1
SCHEMBL30051336 0.87 KMT2A (0.41) KMT2AGAAHPGDERBB2DDB1
SCHEMBL24809172 0.87 KMT2A (0.41) KMT2AGAAHPGDERBB2DDB1
SCHEMBL31475832 0.85 FGFR1 (0.34) KMT2AGAAHPGDERBB2ALDH1A1
SCHEMBL30050420 0.83 GRM5 (0.42) ERBB2GRM5
SCHEMBL24807701 0.83 GRM5 (0.42) ERBB2GRM5
SCHEMBL24809164 0.82 BRAF (0.34) ERBB2
SCHEMBL30050974 0.82 BRAF (0.34) ERBB2
SCHEMBL24569747 0.81 KMT2A (0.43) KMT2AGAAHPGDERBB2DDB1
SCHEMBL1191996 0.81 KMT2A (0.46) KMT2AGAAHPGDERBB2DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 US disclosed
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-05 US disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2023185793-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-10-05 WO disclosed
US-20230041385-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2023-02-09 US disclosed
US-20230023851-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2023-01-26 US disclosed
WO-2022269531-A1 HER2 MUTATION INHIBITORS ARRAY BIOPHARMA INC. (US) 2022-12-29 WO disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 WO disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 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 (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-20230041385-A1 HER2 MUTATION INHIBITORS ERBB2, EGFR, ERBB3 KMT2A 778/4885GAA 1431/4885HPGD 2596/4885
US-11834453-B2 Substituted pyrimido[5,4-d]pyrimidines as HER2 inhibitors ERBB2, EGFR, ERBB3 KMT2A 1686/4885GAA 1555/4885HPGD 1254/4885
US-20230023851-A1 HER2 MUTATION INHIBITORS ERBB2, EGFR, ERBB3 KMT2A 899/4885GAA 1095/4885HPGD 2508/4885

“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.