SCHEMBL13657992

SCHEMBL13657992

CN(C)c1ccc(-c2cnc(-c3ccc(C(C)(C)C)cc3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.53
PTPN2 P17706 1/20 0.53
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
STAT1 P42224 1/20 0.47
MITF O75030 1/20 0.44
APP P05067 1/20 0.42
NOTUM Q6P988 2/20 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
SCHEMBL4879301 0.83 ALOX15 (0.74) PTPN1PTPN2ALOX15TSHRCASP1
SCHEMBL4874341 0.83 ALOX15 (0.74) PTPN1PTPN2ALOX15TSHRCASP1
SCHEMBL14140425 0.83 ALOX15 (0.54) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL13600370 0.83 RAB9A (0.67) PTPN1PTPN2ALOX15TSHRCASP1
SCHEMBL1809702 0.83 ALOX15 (0.74) PTPN1PTPN2ALOX15TSHRCASP1
SCHEMBL29084731 0.83 ALOX15 (0.74) PTPN1PTPN2ALOX15TSHRCASP1
SCHEMBL7167347 0.82 ALOX15 (0.72) PTPN1PTPN2ALOX15TSHRCASP1
SCHEMBL12573258 0.82 APP (0.64) ALOX15TSHRCASP1RAB9ANPC1
SCHEMBL12573259 0.82 HSD17B1 (0.57) PTPN1ALOX15TSHRCASP1RAB9A
SCHEMBL7160732 0.82 ALOX15 (0.72) PTPN1PTPN2ALOX15TSHRCASP1

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
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 US 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 PTPN1 509/4885PTPN2 391/4885ALOX15 3926/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PTPN1 363/4885PTPN2 324/4885ALOX15 3392/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PTPN1 386/4885PTPN2 351/4885ALOX15 3431/4885

“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.