SCHEMBL12854502

SCHEMBL12854502

Cc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(Cc3ccccc3)C(=O)CO4)n2)ccc1N1CCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.49
▸ BTK Q06187 3/20 0.49
▸ TNK2 Q07912 6/20 0.46
▸ EGFR P00533 4/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ KDR P35968 2/20 0.46
▸ PAK1 Q13153 2/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ CSF1R P07333 2/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 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
SCHEMBL12854507 0.94 BRD4 (0.48) TNK2EGFRJAK3JAK2CSF1R
SCHEMBL12854521 0.92 EGFR (0.44) FLT3BTKTNK2EGFRJAK3
SCHEMBL12854519 0.90 NTRK1 (0.50) FLT3BTKEGFRJAK3JAK2
SCHEMBL12854491 0.89 TNK2 (0.48) FLT3BTKTNK2EGFRJAK3
SCHEMBL12854492 0.88 TNK2 (0.47) FLT3BTKTNK2EGFRJAK3
SCHEMBL14481840 0.87 FLT3 (0.48) FLT3BTKTNK2EGFRJAK3
SCHEMBL12854498 0.87 TNK2 (0.46) FLT3BTKTNK2EGFRJAK3
SCHEMBL12854517 0.85 BRD4 (0.46) TNK2EGFRCSF1RPDGFRBPDGFRA
SCHEMBL12854542 0.85 NTRK1 (0.49) FLT3BTKEGFRJAK3JAK2
SCHEMBL12854511 0.84 JAK2 (0.57) JAK3JAK2NTRK2BRD4JAK1

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 FLT3 516/4885BTK 817/4885TNK2 39/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK FLT3 525/4885BTK 993/4885TNK2 68/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK FLT3 516/4885BTK 817/4885TNK2 39/4885

“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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