SCHEMBL22987743

SCHEMBL22987743

CCSc1cccc2c1nc(N[C@@H]1CN(C(=O)OCc3ccccc3)CCNC1=O)n1nc(-c3cnn(C)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PIK3CD O00329 1/20 0.33
ACKR3 P25106 1/20 0.33
USP30 Q70CQ3 1/20 0.32
ADORA3 P0DMS8 6/20 0.32
ADORA1 P30542 5/20 0.32
ADORA2A P29274 4/20 0.32
GPR39 O43194 1/20 0.32
JAK2 O60674 3/20 0.31
JAK1 P23458 3/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
IRAK1 P51617 1/20 0.31
LCK P06239 1/20 0.31
CHEK1 O14757 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL29646441 1.00 PARP1 (0.34) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL30392296 0.92 PARP1 (0.33) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL22987755 0.92 PARP1 (0.33) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL22987599 0.91 TNKS (0.35) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL22979177 0.91 CREBBP (0.33) ADORA3ADORA1ADORA2ABRD4CREBBP
SCHEMBL22988240 0.90 ADORA3 (0.35) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL29649011 0.90 ADORA3 (0.35) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL22987521 0.90 ADORA3 (0.35) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL22988171 0.90 ADORA3 (0.35) PARP1TNKSTNKS2PARP2PIK3CD
SCHEMBL29646426 0.90 ADORA3 (0.35) PARP1TNKSTNKS2PARP2PIK3CD

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 4 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
US-20230113037-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-13 US disclosed
EP-4013508-A1 [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINES Bayer Aktiengesellschaft (DE) 2022-06-22 EP 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 PARP1 553/4885TNKS 230/4885TNKS2 502/4885

“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.