SCHEMBL4301977

SCHEMBL4301977

COc1cc(N)ccc1Oc1cc(Cl)ncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 6/20 0.40
KDM4C Q9H3R0 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NR4A1 P22736 1/20 0.39
KIT P10721 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP19A1 P11511 2/20 0.36
LMNA P02545 1/20 0.36
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5530603 0.88 HTT (0.49) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL4794804 0.84 MAPT (0.47) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL5317250 0.84 ACHE (0.50) MAPTGAAKDM4EALDH1A1MAPK1
SCHEMBL1437039 0.81 MET (0.45) KITMEN1KMT2AKDR
SCHEMBL1437032 0.78 MAPT (0.42) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL4309489 0.78 HTT (0.49) MAPTKDM4EALDH1A1HTTMEN1
SCHEMBL9933482 0.76 PDE5A (0.38) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL4796659 0.76 KDM4E (0.49) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL513403 0.75 KIT (0.45) MAPTGAAKDM4EALDH1A1KDM4C
SCHEMBL1457569 0.74 MEN1 (0.47) MAPTGAAKDM4EALDH1A1TSHR

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-20120157482-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC 2012-06-21 US disclosed
US-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS CORIUM INTERNATIONAL, INC. (US) 2009-05-21 US disclosed
EP-1838700-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS Novartis AG (CH) 2007-10-03 EP disclosed
WO-2006072589-A2 DISUBSTITUTED UREAS AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-07-13 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 (2 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-20090131437-A1 DISUBSTITUTED UREAS AS KINASE INHIBITORS UCK2, ULK2, MAP3K1 MAPT 527/4885GAA 1410/4885KDM4E 834/4885
US-20120157482-A1 COMPOUNDS AND METHODS NQO1, CYP1B1, CYP1A1 MAPT 3800/4885GAA 1295/4885KDM4E 3372/4885

“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.