SCHEMBL22987599

SCHEMBL22987599

Cc1cccc2c1nc(N[C@@H]1CN(C(=O)OCc3ccccc3)CCNC1=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
PIK3CD O00329 1/20 0.35
ADORA3 P0DMS8 5/20 0.34
ADORA1 P30542 4/20 0.34
PARP1 P09874 3/20 0.34
ADORA2A P29274 3/20 0.34
USP30 Q70CQ3 1/20 0.34
SPR P35270 1/20 0.34
GPR39 O43194 1/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
TRPC3 Q13507 2/20 0.33
TRPC7 Q9HCX4 2/20 0.33
IRAK1 P51617 1/20 0.32

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
SCHEMBL29649011 0.93 ADORA3 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL22987521 0.93 ADORA3 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL28730362 0.93 ADORA3 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL22988171 0.93 ADORA3 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL29646426 0.93 ADORA3 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL22988240 0.93 ADORA3 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL22987467 0.92 NR1H2 (0.35) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL30392296 0.91 PARP1 (0.33) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL22987755 0.91 PARP1 (0.33) TNKSTNKS2PIK3CDADORA3ADORA1
SCHEMBL22988241 0.91 RET (0.36) TNKSTNKS2PIK3CDADORA3ADORA1

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 TNKS 230/4885TNKS2 502/4885PIK3CD 2082/4885

“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.