SCHEMBL13234434

SCHEMBL13234434

CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)on1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 1.00
RAF1 P04049 2/20 0.67
ALDH1A1 P00352 1/20 0.63
MAPK13 O15264 2/20 0.57
MAPK12 P53778 2/20 0.57
MAPK11 Q15759 2/20 0.57
MAPT P10636 1/20 0.57
NTRK1 P04629 2/20 0.55
RET P07949 1/20 0.55
EPHB2 P29323 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 2/20 0.53
CNR2 P34972 2/20 0.53
CNR1 P21554 1/20 0.53
NTRK3 Q16288 1/20 0.53
NTRK2 Q16620 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
BRAF P15056 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL13234412 0.88 MAPK14 (0.79) MAPK14RAF1ALDH1A1MAPK13NTRK1
SCHEMBL13234417 0.88 MAPK14 (0.83) MAPK14RAF1ALDH1A1MAPK13MAPT
SCHEMBL13239491 0.88 MAPK14 (0.78) MAPK14RAF1ALDH1A1MAPK13NTRK1
SCHEMBL13234422 0.87 MAPK14 (0.77) MAPK14RAF1ALDH1A1MAPK13MAPK12
SCHEMBL18232987 0.86 MAPK14 (0.76) MAPK14RAF1ALDH1A1MAPK13MAPK12
SCHEMBL28417983 0.85 MAPK14 (0.74) MAPK14RAF1ALDH1A1MAPK13NTRK1
Hydrochloric Acid SCHEMBL1698629 0.85 MAPK14 (0.74) MAPK14RAF1ALDH1A1MAPK13MAPK12
SCHEMBL13234440 0.84 MAPK14 (0.73) MAPK14RAF1ALDH1A1MAPK13MAPT
SCHEMBL13234433 0.84 RAF1 (0.74) MAPK14RAF1ALDH1A1MAPTNTRK1
SCHEMBL13264498 0.84 MAPK14 (0.72) MAPK14RAF1ALDH1A1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 US disclosed
US-7750160-B2 Isoxazolyl urea derivatives as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-07-06 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR MAPK14 1436/4885RAF1 372/4885ALDH1A1 620/4885

“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.