SCHEMBL8973771

SCHEMBL8973771

CN(c1ccccc1)c1nc(Cl)nc(N(C)c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.44
EGFR P00533 1/20 0.43
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 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
SCHEMBL796429 0.96 ALDH1A1 (0.64) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL8974883 0.89 TSHR (0.53) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL795537 0.87 ALDH1A1 (0.50) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL32688167 0.84 ALDH1A1 (0.47) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL31398568 0.82 KMT2A (0.62) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL30568815 0.82 KMT2A (0.62) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL31398581 0.82 ALDH1A1 (0.45) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL10099644 0.81 ALDH1A1 (0.55) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL31398572 0.81 MAPT (0.47) ALDH1A1TDP1MAPTCYP1A2CYP3A4
SCHEMBL31398577 0.81 ALDH1A1 (0.44) ALDH1A1TDP1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed
US-5561131-A INCREASING THE WOOL GROWTH BY ADMINISTERING AN ANTIPROTOZOA AGENT TO SHEEP MALLINCKRODT VETERINARY, INC. (US) 1996-10-01 US disclosed
WO-1993002680-A1 DEFAUNATION METHOD PITMAN-MOORE AUSTRALIA LIMITED (AU) 1993-02-18 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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885TDP1 3464/4885MAPT 1084/4885

“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.