SCHEMBL3532996

SCHEMBL3532996

CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4[nH]ccc(=O)c34)cc2)n(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.56
▸ NTRK1 P04629 3/20 0.56
▸ NTRK3 Q16288 3/20 0.56
▸ NTRK2 Q16620 3/20 0.56
▸ ABL1 P00519 3/20 0.52
▸ KIT P10721 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ DDR1 Q08345 1/20 0.52
▸ DDR2 Q16832 1/20 0.52
▸ MAPK13 O15264 4/20 0.51
▸ MAPK12 P53778 4/20 0.51
▸ MAPK11 Q15759 4/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ PTK2 Q05397 4/20 0.49
▸ PTK2B Q14289 1/20 0.49
▸ BRAF P15056 1/20 0.48

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
SCHEMBL3533552 0.92 MAPK14 (0.58) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3528535 0.92 MAPK14 (0.66) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3531613 0.92 ABL1 (0.57) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3536026 0.90 NTRK1 (0.64) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3528684 0.90 MAPK14 (0.63) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3537150 0.89 MAPK14 (0.56) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3532719 0.87 MAPK14 (0.68) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3534734 0.81 MAPK14 (0.65) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3534548 0.81 ABL1 (0.64) MAPK14NTRK1NTRK3NTRK2ABL1
SCHEMBL3533757 0.81 MAPK14 (0.74) MAPK14ABL1KITCYP3A4DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912998-B1 PYRAZOLE DERIVATIVES HAVING TYROSINKINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-06 — — EP claimed
US-7662827-B2 Pyrazole derivatives having tyrosine kinase inhibitory activity MERCK PATENT GMBH (DE) 2010-02-16 — — US claimed
US-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity MERCK PATENT GMBH (DE) 2008-08-28 — — US claimed

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-20080207647-A1 Pyrazole Derivatives Having Tyrosine Kinase Activity TIE1, FER, ROS1 MAPK14 592/4885NTRK1 428/4885NTRK3 338/4885

“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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