SCHEMBL15315529

SCHEMBL15315529

Cc1cc(-n2ccnc2)cc(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 3/20 0.42
RET P07949 2/20 0.42
CDK2 P24941 2/20 0.42
GSK3B P49841 2/20 0.42
ITK Q08881 2/20 0.42
MERTK Q12866 2/20 0.42
PRKAA1 Q13131 2/20 0.42
ROCK1 Q13464 2/20 0.42
CYP3A4 P08684 3/20 0.42
MAP3K6 O95382 2/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ENPP2 Q13822 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NOTUM Q6P988 1/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL18287244 0.90 CYP3A4 (0.47) MAP3K5RETCDK2GSK3BITK
SCHEMBL31447334 0.90 CYP3A4 (0.47) MAP3K5RETCDK2GSK3BITK
SCHEMBL10104435 0.85 NR2E1 (0.42) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL18288736 0.84 CYP3A4 (0.52) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL872411 0.84 LMNA (0.53) CYP3A4LMNAMAPTENPP2MKNK1
SCHEMBL29556509 0.82 CYP11B1 (0.50) MAP3K5RETCDK2GSK3BITK
SCHEMBL12767805 0.82 CYP3A4 (0.41) MAP3K5RETCDK2GSK3BITK
SCHEMBL16763164 0.82 CYP11B1 (0.43) MAP3K5RETCDK2GSK3BITK
SCHEMBL18289106 0.82 CYP11B1 (0.50) MAP3K5RETCDK2GSK3BITK
SCHEMBL14092962 0.82 CYP3A4 (0.41) CYP3A4LMNAMAPTENPP2MKNK1

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-9224963-B2 Stable emitters ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-12-29 US disclosed
US-20150162552-A1 STABLE EMITTERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2015-06-11 US disclosed
US-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 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-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 MAP3K5 20/4885RET 163/4885CDK2 109/4885

“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.