SCHEMBL4013941

SCHEMBL4013941

CN(C)CCNC(=O)c1cc2c(-c3ccccc3Cl)n[nH]c2nc1Oc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
BRD4 O60885 1/20 0.42
RAD52 P43351 3/20 0.41
MAPK8 P45983 3/20 0.41
MAPK10 P53779 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
WNT1 P04628 1/20 0.40
DYRK1A Q13627 1/20 0.40
UHRF1 Q96T88 1/20 0.40
SLC40A1 Q9NP59 1/20 0.38
DGAT2 Q96PD7 2/20 0.37
ACKR3 P25106 1/20 0.37
CYP1A2 P05177 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
SCHEMBL13769500 0.90 MAPK14 (0.48) MAPK14BRD4RAD52ALDH1A1SMN1; SMN2
SCHEMBL14440847 0.89 MAPK14 (0.46) MAPK14BRD4RAD52ALDH1A1SMN1; SMN2
SCHEMBL4014863 0.87 TGFBR1 (0.40) MAPK14MAPK8
SCHEMBL4018754 0.86 CTSA (0.36) MAPK14MAPK8DGAT2
SCHEMBL4016504 0.85 MAPK14 (0.41) MAPK14
SCHEMBL4017429 0.85 SCN9A (0.39) MAPK14ALDH1A1SMN1; SMN2
SCHEMBL4015352 0.80 TRPA1 (0.41) MAPK14
SCHEMBL4019146 0.79 TRPA1 (0.41) MAPK14SMN1; SMN2
SCHEMBL4015456 0.79 MAPK14 (0.41) MAPK14BRD4MAPK8MAPK10ALDH1A1
SCHEMBL5097216 0.79 MAPK14 (0.42) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US claimed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-7566708-B2 Substituted pyrazolo{3,4-D}pyrimidines as p38 map kinase inhibitors ROCHE PALO ALTO LLC (US) 2009-07-28 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 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 (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-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 MAPK14 33/4885BRD4 1593/4885RAD52 1916/4885

“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.