SCHEMBL12854486

SCHEMBL12854486

CN1CCN(c2cccc(Nc3ncc(F)c(Nc4ccc5c(n4)N(CC4CCC4)C(=O)CO5)n3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.47
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ CCNT1 O60563 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ CDK9 P50750 4/20 0.45
▸ CCNE1 P24864 2/20 0.45
▸ BRD4 O60885 3/20 0.44
▸ PRKCQ Q04759 6/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ NTRK3 Q16288 1/20 0.44
▸ NTRK2 Q16620 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ JAK3 P52333 1/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK7 P50613 2/20 0.42
▸ CCNH P51946 2/20 0.42

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
SCHEMBL12854488 0.98 CTSC (0.47) CTSCJAK2JAK1CCNT1CDK2
SCHEMBL12854485 0.97 CTSC (0.48) CTSCJAK2JAK1CCNT1CDK2
SCHEMBL12854527 0.92 JAK2 (0.52) CTSCJAK2JAK1BRD4JAK3
SCHEMBL12854526 0.90 JAK2 (0.53) CTSCJAK2JAK1BRD4JAK3
SCHEMBL12854492 0.88 TNK2 (0.47) JAK2CDK2BRD4PRKCQNTRK2
SCHEMBL12854524 0.88 CTSC (0.48) CTSCJAK2JAK1CCNT1CDK2
SCHEMBL12854519 0.88 NTRK1 (0.50) CTSCJAK2JAK1CCNT1CDK2
SCHEMBL12854542 0.87 NTRK1 (0.49) CTSCJAK2JAK1CCNT1CDK2
SCHEMBL14482027 0.87 CTSC (0.49) CTSCJAK2JAK1CCNT1CDK2
SCHEMBL12854528 0.87 CTSC (0.49) CTSCJAK2JAK1CCNT1CDK2

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-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-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-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 CTSC 2302/4885JAK2 854/4885JAK1 567/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CTSC 2069/4885JAK2 994/4885JAK1 503/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CTSC 2302/4885JAK2 854/4885JAK1 567/4885

“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.

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