SCHEMBL4281232

SCHEMBL4281232

Cc1cc(Nc2nccc(-c3cnc4[nH]c5c(c4c3)CCCC5)n2)ccc1N1C[C@@H]2C[C@H]1CN2S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.35
JAK3 P52333 5/20 0.35
ACVR1 Q04771 1/20 0.34
BRD4 O60885 3/20 0.33
EGFR P00533 2/20 0.33
CDK9 P50750 2/20 0.33
CDK2 P24941 2/20 0.33
CDK4 P11802 1/20 0.33
BRDT Q58F21 1/20 0.33
PAK1 Q13153 1/20 0.32
IKBKB O14920 2/20 0.32
CHUK O15111 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ZAP70 P43403 3/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32

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
SCHEMBL4288750 1.00 JAK2 (0.35) JAK2JAK3ACVR1BRD4EGFR
SCHEMBL4279457 0.90 PAK1 (0.36) JAK2JAK3ACVR1BRD4CDK9
SCHEMBL4280924 0.90 PAK1 (0.36) JAK2JAK3ACVR1BRD4CDK9
SCHEMBL4284103 0.82 BRD4 (0.39) JAK2JAK3BRD4EGFRCDK9
SCHEMBL4284329 0.82 BRD4 (0.39) JAK2JAK3BRD4EGFRCDK9
SCHEMBL4284700 0.81 EGFR (0.35) JAK2JAK3ACVR1BRD4EGFR
SCHEMBL4281158 0.81 EGFR (0.35) JAK2JAK3ACVR1BRD4EGFR
SCHEMBL4286530 0.78 EGFR (0.41) JAK2JAK3ACVR1BRD4EGFR
SCHEMBL4290529 0.78 EGFR (0.41) JAK2JAK3ACVR1BRD4EGFR
SCHEMBL4276992 0.78 JAK3 (0.35) JAK2JAK3ACVR1BRD4EGFR

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
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 JAK2 4729/4885JAK3 4792/4885ACVR1 1955/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ACVR1 2985/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ACVR1 2280/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 JAK2 1/4885JAK3 3/4885ACVR1 2172/4885

“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.