SCHEMBL3655322

SCHEMBL3655322

N#Cc1ccc2n[c][nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
PKN1 Q16512 1/20 0.43
PKN2 Q16513 1/20 0.43
CSNK1D P48730 7/20 0.41
CSNK1G2 P78368 5/20 0.41
CSNK1A1 P48729 5/20 0.41
GSK3B P49841 4/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CHEK2 O96017 1/20 0.38
RAD51 Q06609 1/20 0.37
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CFB P00751 2/20 0.35

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
SCHEMBL1873153 0.85 IMPDH2 (0.42) PIN1PKN1PKN2CSNK1DCSNK1G2
SCHEMBL207168 0.71 ALDH1A1 (0.44) METAP2METAP1NOS1GRIN1GRIN2B
SCHEMBL207131 0.71 ALPL (0.41) METAP2METAP1
SCHEMBL10468270 0.69 PGK1 (0.41)
SCHEMBL29424823 0.68 PRKCI (0.53) PIN1PKN1PKN2METAP2METAP1
SCHEMBL11134 0.68 PRKCI (0.53) PIN1PKN1PKN2METAP2METAP1
SCHEMBL7773268 0.68 PIN1 (0.45) PIN1PKN1PKN2CSNK1DCSNK1G2
SCHEMBL1917623 0.67 MMP12 (0.51)
SCHEMBL7623293 0.67
SCHEMBL1246822 0.67 NPBWR1 (0.44) METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197872-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Novartis Ag (CH) 2010-06-23 EP disclosed
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives BEERLI RENE 2009-03-19 US disclosed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 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-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives CAMK1D, CAMK1, PHPT1 PIN1 965/4885PKN1 1412/4885PKN2 1366/4885

“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.