SCHEMBL16322902

SCHEMBL16322902

Cc1ccnc(C)c1-c1ccc2c(c1)NC(=O)C2(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.57
LCK P06239 1/20 0.46
BRAF P15056 1/20 0.46
KDR P35968 1/20 0.46
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
PGR P06401 4/20 0.43
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL16322604 0.80 CDC7 (0.52) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16322700 0.80 MAPK14 (0.51) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16322095 0.77 MAPK14 (0.48) MAPK14LCKBRAFKDRBMPR1B
SCHEMBL16322076 0.75 BMPR1B (0.52) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16322112 0.75 BMPR1B (0.52) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16322124 0.75 PDE3B (0.56) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL29899609 0.75 PDE3B (0.56) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16322152 0.74 BMPR1B (0.51) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL17377533 0.74 MAPK14 (0.54) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL16322019 0.74 MAPK14 (0.54) MAPK14BMPR1BBMPR1ATGFBR1ACVRL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105308039-B Indolin-2-one or pyrrolo-pyridine/pyrimid-2-one derivative 豪夫迈·罗氏有限公司 2019-06-28 CN claimed
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 EP claimed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US claimed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP claimed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US claimed
CN-105308039-A Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN LA ROCHE 2016-02-03 CN claimed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO claimed
CN-105308039-B Indolin-2-one or pyrrolo-pyridine/pyrimid-2-one derivative 豪夫迈·罗氏有限公司 2019-06-28 CN disclosed
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
EP-3010914-B1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
US-9616053-B2 Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
EP-3010914-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-04-27 EP disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US disclosed
US-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2016-04-07 US disclosed
CN-105308039-A Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives HOFFMANN LA ROCHE 2016-02-03 CN disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO disclosed
WO-2014202493-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-12-24 WO 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 (1 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-20160095844-A1 INDOLIN-2-ONE OR PYRROLO-PYRIDIN/PYRIMIDIN-2-ONE DERIVATIVES HTR2C, OPRD1, DRD3 MAPK14 3360/4885LCK 2409/4885BRAF 1388/4885

“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.