SCHEMBL13201566

SCHEMBL13201566

Cc1ncc2c(=O)[nH]cnn12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.33
NR1H2 P55055 1/20 0.33
PARP1 P09874 7/20 0.33
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
HTT P42858 1/20 0.33
BRD4 O60885 1/20 0.32
PDPK1 O15530 2/20 0.32
CHEK1 O14757 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KA3 P51812 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
BCAT2 O15382 1/20 0.31

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
SCHEMBL17868441 0.83 ALDH1A1 (0.36) ALDH1A1HPGDCHEK1PIM1RAB9A
SCHEMBL13218216 0.79 ALDH1A1 (0.36) ALDH1A1RAB9A
SCHEMBL31064932 0.78 ALDH1A1 (0.34) ALDH1A1HPGDNR1H2HSD17B10
SCHEMBL594884 0.75 DYRK1A (0.43) ALDH1A1HPGDHTTBRD4PDPK1
SCHEMBL398420 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15264769 0.75 BRD4 (0.42) ALDH1A1HPGDPARP1HTTBRD4
SCHEMBL4045988 0.72 PARP1 (0.39) ALDH1A1PARP1TNKSTNKS2HTT
SCHEMBL18520816 0.70 ALDH1A1 (0.42) ALDH1A1HPGDPARP1HTTBRD4
SCHEMBL25269981 0.70 AURKA (0.39)
SCHEMBL398419 0.70 PDE9A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2023-06-22 US disclosed
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US 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 (5 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A ALDH1A1 975/4885HPGD 1224/4885NR1H2 869/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A ALDH1A1 975/4885HPGD 1224/4885NR1H2 869/4885
US-20230192691-A1 HETEROCYCLIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN ALDH1A1 3975/4885HPGD 3944/4885NR1H2 4128/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A ALDH1A1 975/4885HPGD 1224/4885NR1H2 869/4885
US-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 ALDH1A1 4453/4885HPGD 2195/4885NR1H2 2454/4885

“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.