SCHEMBL13977458

SCHEMBL13977458

c1cc(-c2ccc(-c3ccncc3)[nH]2)ccn1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.74
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
PDPK1 O15530 1/20 0.54
HDAC8 Q9BY41 1/20 0.52
NPY5R Q15761 1/20 0.47
NOTUM Q6P988 1/20 0.46
CDC7 O00311 5/20 0.42
MAPK14 Q16539 2/20 0.42
PKN2 Q16513 1/20 0.41
JAK2 O60674 1/20 0.41
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
CLK1 P49759 1/20 0.40

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
SCHEMBL12337642 0.90 NOTUM (0.64) GCGRMAPTNPY5RNOTUMCDC7
SCHEMBL17283575 0.86 GCGR (0.59) GCGRPDPK1NPY5RNOTUMCDC7
SCHEMBL13977711 0.82 GCGR (0.55) GCGRLMNAMAPTPDPK1HDAC8
SCHEMBL13977468 0.81 GCGR (0.53) GCGRLMNAMAPTPDPK1HDAC8
SCHEMBL24354824 0.78 GCGR (0.50) GCGRLMNAMAPTPDPK1HDAC8
SCHEMBL11843673 0.76 GCGR (0.63) GCGRPDPK1HDAC8NPY5RCDC7
SCHEMBL13977805 0.75 CDC7 (0.54) GCGRLMNANPY5RCDC7
SCHEMBL6343156 0.75 GCGR (0.52) GCGRPDPK1HDAC8CDC7MAPK14
Hydrochloric Acid SCHEMBL6343159 0.75 KDM4E (0.61) GCGRCDC7MAPK14
Hydrochloric Acid SCHEMBL11626830 0.75 GCGR (0.61) GCGRPDPK1HDAC8NPY5RCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-22 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-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 GCGR 1152/4885LMNA 3787/4885MAPT 3908/4885

“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.