SCHEMBL3107956

SCHEMBL3107956

c1cc(-c2c(-c3ccsc3)nn3c2COCC3)nc(NC2CC2)n1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.69
ACVR1 Q04771 8/20 0.50
CDK4 P11802 3/20 0.41
GSK3B P49841 1/20 0.41
MAPK10 P53779 2/20 0.39
IKBKB O14920 4/20 0.39
CHUK O15111 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPK1 P28482 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3107409 0.87 CSNK1D (0.76) CSNK1DACVR1CDK4GSK3BMAPK10
SCHEMBL3091618 0.85 CSNK1D (0.93) CSNK1DACVR1CDK4GSK3BMAPK8
SCHEMBL10290174 0.83 CSNK1D (0.64) CSNK1DACVR1CDK4GSK3BMAPK10
SCHEMBL10290481 0.81 CSNK1D (0.90) CSNK1DACVR1CDK4GSK3BMAPK10
SCHEMBL10290480 0.72 CSNK1D (0.75) CSNK1DACVR1GSK3BMAPK11MAPK14
SCHEMBL3094899 0.71 ACVR1 (0.58) CSNK1DACVR1GSK3BMAPK10MAPK8
SCHEMBL3110798 0.71 MAPK10 (0.55) CSNK1DACVR1CDK4GSK3BMAPK10
SCHEMBL10290479 0.70 CSNK1D (0.71) CSNK1DACVR1GSK3BMAPK11MAPK14
SCHEMBL3108242 0.70 CSNK1D (0.71) CSNK1DACVR1MAPK11MAPK14
SCHEMBL3112050 0.69 CSNK1D (0.68) CSNK1DACVR1CDK4GSK3BMAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP claimed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US claimed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US claimed
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 CSNK1D 1670/4885ACVR1 3435/4885CDK4 2990/4885

“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.