SCHEMBL22988053

SCHEMBL22988053

O=C1NCCN(C(=O)OCc2ccccc2)C[C@H]1Nc1nc2ccccc2c2nc(-c3ccccc3C(F)(F)F)nn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
USP30 Q70CQ3 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 2/20 0.35
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.34
GRIN2B Q13224 1/20 0.34
TP53 P04637 2/20 0.34
ALPL P05186 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
SCHEMBL22987506 0.91 MGLL (0.39) LCKTNKSPARP1TNKS2PARP2
SCHEMBL29646397 0.91 MGLL (0.39) LCKTNKSPARP1TNKS2PARP2
SCHEMBL22981361 0.89 ALPL (0.38) LCKTNKSPARP1TNKS2PARP2
SCHEMBL29646433 0.89 ALPL (0.38) LCKTNKSPARP1TNKS2PARP2
SCHEMBL22987938 0.89 ADORA3 (0.41) LCKTNKSPARP1TNKS2PARP2
SCHEMBL22987881 0.88 TSHR (0.38) LCKTNKSPARP1TNKS2PARP2
SCHEMBL22988054 0.88 LCK (0.37) LCKTNKSPARP1TNKS2PARP2
SCHEMBL22987803 0.86 TRPC3 (0.41) TNKSPARP1TNKS2PARP2KDM4E
SCHEMBL22987937 0.86 TRPC3 (0.41) TNKSPARP1TNKS2PARP2KDM4E
SCHEMBL30393771 0.86 TRPC3 (0.41) TNKSPARP1TNKS2PARP2KDM4E

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 LCK 779/4885TNKS 230/4885PARP1 553/4885

“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.