SCHEMBL2380503

SCHEMBL2380503

COc1ccc(I)cc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
AR P10275 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9732329 0.83 HTT (0.48) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL233846 0.83 APP (0.55) ARCA12CA1CA2CA4
SCHEMBL27848347 0.82 LMNA (0.39) MAP2K1CYP3A4TSHRCYP2C19MAPK1
SCHEMBL412460 0.81 KDM4E (0.49) TSHRARMAPK1LMNAKMT2A
SCHEMBL30393778 0.81 KDM4E (0.49) TSHRARMAPK1LMNAKMT2A
SCHEMBL29439779 0.81 AR (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4733642 0.81 AR (0.43) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL2190365 0.81 ACHE (0.59) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL623759 0.79 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1086016 0.79 MAPT (0.66) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480631-A Radioiodinated benzamines and method of their use as radioimaging VANDERBILT UNIVERSITY (US) 1996-01-02 US claimed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
US-8017601-B2 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2011-09-13 US disclosed
US-8017601-B2 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2011-09-13 US disclosed
US-8017601-B2 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2011-09-13 US disclosed
EP-1896461-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER Amgen Inc. (US) 2008-03-12 EP disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed
US-20070054903-A1 Bis-aryl kinase inhibitors and method AMGEN INC. (US) 2007-03-08 US disclosed
WO-2007005668-A2 BIS-ARYL KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-01-11 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-20070054903-A1 Bis-aryl kinase inhibitors and method HGF, MET, BLK MAP2K1 117/4885CYP1A2 250/4885CYP3A4 362/4885

“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.