SCHEMBL12854542

SCHEMBL12854542

CN1CCN(c2cccc(Nc3ncc(F)c(Nc4ccc5c(n4)N(Cc4ccc(F)cc4)C(=O)CO5)n3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 3/20 0.49
▸ NTRK3 Q16288 1/20 0.49
▸ NTRK2 Q16620 1/20 0.49
▸ CTSC P53634 2/20 0.48
▸ JAK2 O60674 3/20 0.47
▸ JAK1 P23458 2/20 0.47
▸ CCNT1 O60563 5/20 0.45
▸ CDK2 P24941 5/20 0.45
▸ CDK9 P50750 5/20 0.45
▸ CCNE1 P24864 3/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ SYK P43405 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ EGFR P00533 1/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CCNB1 P14635 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ FLT3 P36888 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
SCHEMBL12854519 0.95 NTRK1 (0.50) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854531 0.94 JAK2 (0.53) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854514 0.93 CTSC (0.46) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854485 0.88 CTSC (0.48) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854524 0.88 CTSC (0.48) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854511 0.87 JAK2 (0.57) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854486 0.87 CTSC (0.47) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854488 0.86 CTSC (0.47) NTRK1NTRK3NTRK2CTSCJAK2
SCHEMBL12854522 0.86 BRD4 (0.52) CTSCJAK2JAK1CDK2CDK9
SCHEMBL12854502 0.85 FLT3 (0.49) NTRK2JAK2JAK1CDK2BRD4

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 15 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-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-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 NTRK1 2317/4885NTRK3 2460/4885NTRK2 2810/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK NTRK1 2298/4885NTRK3 2733/4885NTRK2 3425/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK NTRK1 2317/4885NTRK3 2460/4885NTRK2 2810/4885

“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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