SCHEMBL4290940

SCHEMBL4290940

Cc1cc(-c2ccnc(Nc3ccc(N4CC5CC4CN5C)c(F)c3)n2)cnc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.49
JAK3 P52333 5/20 0.49
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
EGFR P00533 2/20 0.43
SMG1 Q96Q15 3/20 0.42
CDK2 P24941 2/20 0.42
CDK1 P06493 1/20 0.42
ZAP70 P43403 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
CCNA2 P20248 1/20 0.40
CCNA1 P78396 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
SCHEMBL4279783 1.00 JAK2 (0.49) JAK2JAK3JAK1TYK2EGFR
SCHEMBL4290252 0.93 JAK2 (0.49) JAK2JAK3JAK1TYK2SMG1
SCHEMBL4291938 0.93 JAK2 (0.49) JAK2JAK3JAK1TYK2SMG1
SCHEMBL4279938 0.89 JAK2 (0.51) JAK2JAK3EGFRSMG1CDK2
SCHEMBL4284722 0.89 JAK2 (0.51) JAK2JAK3EGFRSMG1CDK2
SCHEMBL4280851 0.88 JAK2 (0.49) JAK2JAK3SMG1CDK2CDK1
SCHEMBL4283095 0.88 JAK2 (0.49) JAK2JAK3SMG1CDK2CDK1
SCHEMBL4278706 0.88 ZAP70 (0.57) JAK2JAK3EGFRSMG1CDK2
SCHEMBL4279761 0.88 ZAP70 (0.57) JAK2JAK3EGFRSMG1CDK2
SCHEMBL4277855 0.88 JAK2 (0.49) JAK2JAK3SMG1CDK2CDK1

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 8 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
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO 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 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885JAK1 2/4885

“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.