SCHEMBL16533962

SCHEMBL16533962

Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 11/20 0.56
▸ MAPT P10636 5/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ BRAF P15056 2/20 0.56
▸ ALOX15 P16050 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ RAF1 P04049 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ MAPK11 Q15759 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HTT P42858 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ SMO Q99835 2/20 0.52

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
SCHEMBL1517349 0.91 MAPK14 (0.51) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL13197996 0.85 NPC1 (0.57) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL19529424 0.84 CNR1 (0.55) MAPTHPGDBRAFTP53RAB9A
SCHEMBL20995678 0.84 MAPT (0.56) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL1517220 0.83 KCNK3 (0.50) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL17526020 0.82 SMN1; SMN2 (0.41) MAPTKDM4EBRAFRAF1RAB9A
SCHEMBL29536884 0.82 BRAF (0.58) MAPK14MAPTALDH1A1BRAFRAF1
SCHEMBL2887561 0.82 BRAF (0.58) MAPK14MAPTALDH1A1BRAFRAF1
SCHEMBL1516907 0.81 MAPT (0.50) MAPK14MAPTKDM4EALDH1A1HPGD
SCHEMBL16533843 0.80 KMT2A (0.46) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2

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-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 — — US disclosed
US-9062051-B2 Compounds and pharmaceutical compositions thereof for the treatment of proliferative disorders GALAPAGOS NV (BE) 2015-06-23 — — US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 — — US disclosed
US-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-03-19 — — US disclosed
WO-2015024905-A1 DERIVATIVES OF 1 H-PYRAZOLO[3,4-B]PYRIDINE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS GALAPAGOS NV (BE) 2015-02-26 — — 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-20150080391-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF PROLIFERATIVE DISORDERS FGF2, CCNA2, VEGFA MAPK14 4407/4885MAPT 1484/4885KDM4E 2115/4885

“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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