SCHEMBL4404344

SCHEMBL4404344

Cn1ccc2cccc(CC(C)(C)C)c21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.42
RIPK1 Q13546 2/20 0.39
NR1H2 P55055 5/20 0.33
NR1H3 Q13133 4/20 0.33
CDK4 P11802 3/20 0.33
CCND1 P24385 3/20 0.33
CCNE2 O96020 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
RXRA P19793 1/20 0.33
PRKCI P41743 1/20 0.31
PTPN11 Q06124 1/20 0.30

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
SCHEMBL11005480 0.79 CMA1 (0.48) CMA1NR1H2NR1H3CDK4CCND1
SCHEMBL1691863 0.79 CYP19A1 (0.36) RIPK1CDK4CCND1
SCHEMBL3279187 0.78 CMA1 (0.44) CMA1NR1H2NR1H3CDK4CCND1
SCHEMBL689243 0.78 CMA1 (0.47) CMA1NR1H2NR1H3CDK4CCND1
SCHEMBL3132206 0.78 CMA1 (0.44) CMA1NR1H2NR1H3CDK4CCND1
Hydrochloric Acid SCHEMBL26107888 0.76 CMA1 (0.43) CMA1NR1H2NR1H3CDK4CCND1
SCHEMBL10264882 0.76 CMA1 (0.43) CMA1NR1H2NR1H3CDK4CCND1
SCHEMBL1251799 0.75 IFNAR1 (0.45) CMA1NR1H2NR1H3CDK4CCND1
SCHEMBL31370531 0.75 CMA1 (0.42) CMA1CDK4CCND1CCNE2CCNE1
SCHEMBL3143493 0.75 CMA1 (0.45) CMA1NR1H2NR1H3CDK4CCND1

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
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CMA1 2625/4885RIPK1 182/4885NR1H2 3805/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CMA1 2625/4885RIPK1 182/4885NR1H2 3805/4885

“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.