SCHEMBL4475094

SCHEMBL4475094

Clc1ccc(Nc2cccc(Cl)c2Cl)nn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.49
▸ GAA P10253 4/20 0.46
▸ LMNA P02545 2/20 0.43
▸ KMT2A Q03164 6/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ KLF5 Q13887 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
SCHEMBL29581086 0.75 ALDH1A1 (0.58) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL10094604 0.75 ALDH1A1 (0.58) ALDH1A1MAPTGAALMNARAB9A
SCHEMBL13887212 0.74 SMN1; SMN2 (0.47) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL10094181 0.71 ALDH1A1 (0.53) ALDH1A1MAPTGAALMNARAB9A
SCHEMBL1319274 0.69 ALDH1A1 (1.00) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL4159994 0.69 MEN1 (0.52) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL14850496 0.69 ALDH1A1 (0.55) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL21463918 0.69 MAPK1 (0.53) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL30615434 0.69 MAPK1 (0.53) ALDH1A1MAPTGAALMNAKMT2A
SCHEMBL3595694 0.68 ALDH1A1 (0.68) ALDH1A1MAPTGAAKMT2AMEN1

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-7514445-B2 Heteroaryl amines as glycogen synthase kinase 3β inhibitors (GSK3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-07 — — US disclosed
US-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 — — US disclosed
EP-1448556-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2004-08-25 — — EP disclosed
WO-2003037891-A1 HETEROARYL AMINES AS GLYCOGEN SYNTHASE KINASE 3BETA INHIBITORS (GSK3 INHIBITORS) JANSSEN PHARMACEUTICA N.V. (BE) 2003-05-08 — — 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-20050004125-A1 Heteroaryl amines as glycogen synthase kinase 3beta inhibitors (gsk3 inhibitors) GSK3B, GSK3A, GSKIP ALDH1A1 3842/4885MAPT 1460/4885GAA 2254/4885

“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.

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