SCHEMBL22987956

SCHEMBL22987956

Cn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CCCCNC4=O)n3n2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.36
CCNK O75909 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
ADORA2A P29274 11/20 0.36
ADORA1 P30542 11/20 0.36
ADORA3 P0DMS8 7/20 0.36
ADORA2B P29275 5/20 0.36
BRD4 O60885 4/20 0.36
CREBBP Q92793 4/20 0.36
PTK2 Q05397 1/20 0.35
PTK2B Q14289 1/20 0.35
KCNH2 Q12809 4/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C19 P33261 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL29645447 1.00 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22980984 1.00 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645785 1.00 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22988096 0.98 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645772 0.98 CCNK (0.38) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22988029 0.94 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL29645816 0.94 CCNT1 (0.36) CCNT1CCNKCDK7CDK9CCNH
SCHEMBL22979395 0.92 HDAC1 (0.35) ADORA2AADORA1ADORA3ADORA2BPTK2
SCHEMBL22988088 0.92 ADORA2A (0.35) ADORA2AADORA1ADORA3ADORA2BBRD4
SCHEMBL22988167 0.92 CCNE1 (0.36) ADORA2AADORA1ADORA3ADORA2BPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
WO-2021028382-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2021-02-18 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 (1 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-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES AHR, HRH4, HRH1 CCNT1 927/4885CCNK 1143/4885CDK7 781/4885

“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.