SCHEMBL2380940

SCHEMBL2380940

COc1ccc(-c2ccc(N3CC(C(=O)O)CC3=O)cc2)c2ccncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 2/20 0.43
GRK2 P25098 1/20 0.41
KMT2A Q03164 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GLA P06280 1/20 0.41
CA5A P35218 1/20 0.40

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
SCHEMBL2381352 0.91 ALDH1A1 (0.51) NPSR1CA12CA1CA2CA4
SCHEMBL2380600 0.87 TSHR (0.52) NPSR1CA12CA1CA2CA4
SCHEMBL2382409 0.85 NPSR1 (0.63) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL12245736 0.82 CA1 (0.52) NPSR1CA12CA1CA2CA4
SCHEMBL14571334 0.77 ALDH1A1 (0.57) CA12CA1CA2CA4CA6
SCHEMBL12245738 0.76 KMT2A (0.59) NPSR1CA12CA1CA2CA4
SCHEMBL6267110 0.74 TSHR (0.63) CA12CA1CA2CA4CA6
SCHEMBL12245740 0.74 SMN1; SMN2 (0.64) NPSR1ALDH1A1SMN1; SMN2POLBTSHR
SCHEMBL6270203 0.73 HTT (0.63) CA12CA1CA2CA4CA6
SCHEMBL20676025 0.73 CA12 (0.74) CA12CA1CA2CA4CA6

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-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
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 NPSR1 2272/4885CA12 4523/4885CA1 4700/4885

“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.