SCHEMBL343790

SCHEMBL343790

Clc1cccc(Nc2ccc(Nc3ncc4cnn(Cc5cccnc5)c4n3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
PRKCA P17252 1/20 0.47
PRKCD Q05655 1/20 0.47
NR3C1 P04150 1/20 0.44
P2RX7 Q99572 2/20 0.43
PTK2 Q05397 1/20 0.43
SYK P43405 1/20 0.42
JAK3 P52333 1/20 0.42
EGFR P00533 2/20 0.42
ERBB2 P04626 1/20 0.42
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10167381 0.88 NAMPT (0.54) ABL1BCRPRKCAPRKCDNR3C1
SCHEMBL16570689 0.82 PTK2 (0.52) ABL1BCRPRKCDNR3C1PTK2
SCHEMBL15428629 0.81 CDK4 (0.48) ABL1BCRPRKCAPRKCDNR3C1
SCHEMBL342369 0.79 CDK1 (0.58) PRKCDPTK2SYKJAK3EGFR
SCHEMBL31299861 0.79 PTGS1 (0.52) ABL1BCRNR3C1PTK2JAK3
SCHEMBL10167382 0.77 JAK3 (0.48) PTK2JAK3
SCHEMBL10167393 0.77 EGFR (0.45) ABL1BCRPRKCDNR3C1PTK2
SCHEMBL12797065 0.77 IGF1R (0.52) JAK3MAPK1
SCHEMBL344496 0.77 CDK4 (0.62) PTK2JAK3EGFRCDK4CCND1
SCHEMBL16570673 0.76 BCL6 (0.59) PTK2SYKCYP1A2KDR

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-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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 (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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 ABL1 2272/4885BCR 3970/4885PRKCA 250/4885

“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.