SCHEMBL22988396

SCHEMBL22988396

Cn1cc(-c2nc3c4cccc(C(F)(F)F)c4nc(N[C@@H]4CNCCNC4=O)n3n2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 3/20 0.38
CDK12 Q9NYV4 3/20 0.38
CDK7 P50613 2/20 0.38
CCNH P51946 2/20 0.38
MNAT1 P51948 2/20 0.38
CCNT1 O60563 2/20 0.38
CDK9 P50750 2/20 0.38
ADORA3 P0DMS8 8/20 0.34
ADORA1 P30542 8/20 0.34
ADORA2A P29274 7/20 0.34
RPLP1 P05386 1/20 0.34
RPLP0 P05388 1/20 0.34
RPS17 P08708 1/20 0.34
RPSA P08865 1/20 0.34
RPS2 P15880 1/20 0.34
RPL35A P18077 1/20 0.34
RPL7 P18124 1/20 0.34
RPL17 P18621 1/20 0.34
RPS4Y1 P22090 1/20 0.34
RPS3 P23396 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
SCHEMBL29645793 1.00 CCNK (0.38) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22979180 0.92 MAP4K3 (0.32) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29645522 0.92 PDE3B (0.33) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29645628 0.92 MAP4K3 (0.32) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22988441 0.92 PDE3B (0.33) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22979392 0.92 PDE3B (0.33) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22979833 0.92 MAP4K3 (0.32) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22988029 0.91 CCNT1 (0.36) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL29645816 0.91 CCNT1 (0.36) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL22988129 0.91 PIM1 (0.33) CCNKCDK12CDK7CCNHMNAT1

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 CCNK 1143/4885CDK12 1975/4885CDK7 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.