SCHEMBL12854537

SCHEMBL12854537

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(N5CCNCC5)c(C(F)(F)F)c4)ncc3F)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.44
▸ CDK6 Q00534 6/20 0.44
▸ CSF1R P07333 5/20 0.44
▸ FLT3 P36888 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ SYK P43405 4/20 0.40
▸ BRD4 O60885 3/20 0.39
▸ WEE1 P30291 1/20 0.39
▸ CCNA2 P20248 3/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNA1 P78396 2/20 0.38
▸ PAK3 O75914 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ PAK2 Q13177 1/20 0.38
▸ PKN1 Q16512 1/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ CCNE1 P24864 1/20 0.37

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
SCHEMBL12854544 0.93 BRD4 (0.46) CDK4CSF1RFLT3BTKBRD4
SCHEMBL2519305 0.93 SYK (0.42) CDK4CDK6CSF1RFLT3BTK
SCHEMBL12854536 0.90 BRD4 (0.42) FLT3BTKSYKBRD4WEE1
SCHEMBL12854532 0.86 BRD4 (0.54) CDK4FLT3BRD4CCNA2CDK2
SCHEMBL12854464 0.77 WEE1 (0.49) CSF1RFLT3BTKSYKBRD4
SCHEMBL12854337 0.75 PAK1 (0.39) CSF1RFLT3BTKSYKWEE1
SCHEMBL12854491 0.75 TNK2 (0.48) CSF1RFLT3BTKSYKBRD4
SCHEMBL12854502 0.75 FLT3 (0.49) CSF1RFLT3BTKSYKBRD4
SCHEMBL12854492 0.74 TNK2 (0.47) CSF1RFLT3BTKSYKBRD4
SCHEMBL12854341 0.74 SYK (0.39) CSF1RFLT3BTKSYKWEE1

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 CDK4 165/4885CDK6 22/4885CSF1R 3270/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CDK4 169/4885CDK6 34/4885CSF1R 3296/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK CDK4 165/4885CDK6 22/4885CSF1R 3270/4885

“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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