SCHEMBL12854507

SCHEMBL12854507

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.48
▸ WEE1 P30291 1/20 0.47
▸ TNK2 Q07912 5/20 0.47
▸ EGFR P00533 3/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ BRDT Q58F21 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ CSF1R P07333 1/20 0.43

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
SCHEMBL12854502 0.94 FLT3 (0.49) BRD4WEE1TNK2EGFRSLC2A1
SCHEMBL12854517 0.92 BRD4 (0.46) BRD4WEE1TNK2EGFRPDGFRB
SCHEMBL12854511 0.91 JAK2 (0.57) BRD4JAK3JAK1JAK2BRDT
SCHEMBL12854464 0.90 WEE1 (0.49) BRD4WEE1TNK2EGFRSLC2A1
SCHEMBL12854495 0.88 WEE1 (0.47) BRD4WEE1TNK2EGFRJAK3
SCHEMBL12854451 0.88 BRD4 (0.52) BRD4WEE1TNK2EGFRSLC2A1
SCHEMBL12854496 0.87 WEE1 (0.48) BRD4WEE1TNK2EGFR
SCHEMBL14482024 0.87 BRD4 (0.52) BRD4TNK2EGFRSLC2A1JAK3
SCHEMBL12854504 0.86 WEE1 (0.47) BRD4WEE1TNK2EGFR
SCHEMBL12854521 0.86 EGFR (0.44) BRD4WEE1TNK2EGFRJAK3

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 BRD4 758/4885WEE1 342/4885TNK2 39/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885WEE1 236/4885TNK2 68/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 758/4885WEE1 342/4885TNK2 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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