SCHEMBL3115286

SCHEMBL3115286

Cc1cnc(Nc2ccc(N3CCN(CC4CC4)CC3)nc2)nc1Nc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.57
JAK1 P23458 5/20 0.57
JAK3 P52333 5/20 0.57
JAK2 O60674 2/20 0.53
CYP3A4 P08684 1/20 0.53
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
PDGFRB P09619 4/20 0.43
PDGFRA P16234 4/20 0.43
WEE1 P30291 1/20 0.43
ALK Q9UM73 1/20 0.43
BRD4 O60885 2/20 0.43
TRPV1 Q8NER1 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
Formic Acid SCHEMBL14481816 0.96 SYK (0.54) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL12854439 0.92 JAK3 (0.59) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3112822 0.89 JAK1 (0.64) SYKJAK1JAK3JAK2CYP3A4
Formic Acid SCHEMBL14482282 0.88 SYK (0.56) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3108818 0.88 JAK1 (0.57) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3103993 0.87 JAK1 (0.62) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL12694658 0.87 JAK1 (0.59) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3109375 0.87 JAK1 (0.59) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3122469 0.86 JAK1 (0.63) SYKJAK1JAK3JAK2CYP3A4
Formic Acid SCHEMBL14482191 0.85 JAK1 (0.60) SYKJAK1JAK3JAK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885JAK1 567/4885JAK3 1186/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2304/4885JAK1 503/4885JAK3 1030/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885JAK1 567/4885JAK3 1186/4885

“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.