SCHEMBL4281600

SCHEMBL4281600

Cc1cc(Nc2nccc(-c3cnc4[nH]ccc4c3)n2)ccc1N1CC2CC1CN2C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.45
KCNH2 Q12809 9/20 0.45
BRD4 O60885 2/20 0.39
BRDT Q58F21 1/20 0.39
JAK2 O60674 1/20 0.39
PAK1 Q13153 1/20 0.38
NUDT1 P36639 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
CDK9 P50750 1/20 0.37
SYK P43405 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
SCHEMBL4277396 1.00 CHRNA7 (0.45) CHRNA7KCNH2BRD4BRDTJAK2
SCHEMBL4282491 0.91 CHRNA7 (0.44) CHRNA7KCNH2JAK2PAK1CCNA2
SCHEMBL4279293 0.91 CHRNA7 (0.44) CHRNA7KCNH2JAK2PAK1CCNA2
SCHEMBL4282467 0.88 BRD4 (0.38) CHRNA7KCNH2BRD4BRDTJAK2
SCHEMBL4278721 0.88 BRD4 (0.38) CHRNA7KCNH2BRD4BRDTJAK2
SCHEMBL4276769 0.88 CHRNA7 (0.55) CHRNA7KCNH2BRD4BRDTJAK2
SCHEMBL4281058 0.88 CHRNA7 (0.55) CHRNA7KCNH2BRD4BRDTJAK2
SCHEMBL4287075 0.88 MAP3K12 (0.40) BRD4BRDTJAK2CCNA2CDK2
SCHEMBL4286143 0.88 MAP3K12 (0.40) BRD4BRDTJAK2CCNA2CDK2
SCHEMBL4283925 0.86 STK17A (0.46) BRD4BRDTJAK2NUDT1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (3 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-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4430/4885KCNH2 2389/4885BRD4 251/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4409/4885KCNH2 3103/4885BRD4 468/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 CHRNA7 4368/4885KCNH2 3162/4885BRD4 535/4885

“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.