SCHEMBL2138195

SCHEMBL2138195

COc1cc(OC)c2nc(NN)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
KMT2A Q03164 8/20 0.61
MEN1 O00255 7/20 0.61
GAA P10253 4/20 0.61
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 5/20 0.47
PKM P14618 4/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 4/20 0.46
F2RL3 Q96RI0 1/20 0.42
CSF1R P07333 4/20 0.41
DUSP3 P51452 1/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PDGFRB P09619 2/20 0.40
KIT P10721 2/20 0.40
PDGFRA P16234 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL19782620 0.80 F2RL3 (0.45) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL2140697 0.79 MEN1 (0.44) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL9722840 0.79 CYP3A4 (0.58) MAPTKDM4EALDH1A1TDP1F2RL3
SCHEMBL11342209 0.77 F2RL3 (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2136353 0.76 MAPT (1.00) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL10575465 0.76 ALDH1A1 (0.58) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL22994342 0.74 ALDH1A1 (0.63) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL30960491 0.74 ALDH1A1 (0.63) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL2114859 0.73 NPC1 (0.68) MAPTKMT2AMEN1GAAKDM4E
SCHEMBL30960486 0.73 ALDH1A1 (0.49) MAPTKMT2AMEN1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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 (3 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MAPT 3403/4885KMT2A 575/4885MEN1 3325/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR MAPT 3403/4885KMT2A 575/4885MEN1 3325/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR MAPT 3403/4885KMT2A 575/4885MEN1 3325/4885

“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.