SCHEMBL3118591

SCHEMBL3118591

CN1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(c4)NC(=O)CO5)n3)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.64
JAK1 P23458 2/20 0.53
JAK3 P52333 2/20 0.53
JAK2 O60674 1/20 0.53
CYP3A4 P08684 1/20 0.53
EGFR P00533 2/20 0.49
CTSC P53634 1/20 0.49
FLT3 P36888 2/20 0.46
BTK Q06187 2/20 0.46
CCNT1 O60563 2/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CDK9 P50750 2/20 0.46
BRD4 O60885 5/20 0.46

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 SCHEMBL14481804 0.96 SYK (0.62) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3112822 0.91 JAK1 (0.64) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL12854308 0.88 SYK (0.71) SYKJAK1JAK3JAK2EGFR
Formic Acid SCHEMBL14482191 0.87 JAK1 (0.60) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL13248617 0.87 SYK (0.60) SYKJAK1JAK3JAK2EGFR
SCHEMBL2522224 0.86 SYK (0.57) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3103993 0.83 JAK1 (0.62) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL3109375 0.82 JAK1 (0.59) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL12694658 0.82 JAK1 (0.59) SYKJAK1JAK3JAK2CYP3A4
SCHEMBL12854439 0.82 JAK3 (0.59) 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.