SCHEMBL9953765

SCHEMBL9953765

Cc1nc(N)sc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.48
KMT2A Q03164 2/20 0.47
GPR52 Q9Y2T5 1/20 0.44
IKBKE Q14164 1/20 0.44
RORB Q92753 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
DHFR P00374 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BACE1 P56817 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
SCHEMBL327563 0.83 CDK4 (0.51) KMT2AGPR52IKBKEALDH1A1MAPT
SCHEMBL9955904 0.83 KMT2A (0.49) KMT2AGPR52IKBKEMAPT
SCHEMBL8083511 0.83 MEN1 (0.54) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7685920 0.81 TGFBR1 (0.48) TGFBR1KMT2ARORBALDH1A1MAPT
SCHEMBL28357067 0.81 MAPT (0.51) KMT2ARORBMEN1ALDH1A1LMNA
SCHEMBL8084192 0.81 MAPT (0.51) KMT2AGPR52MEN1ALDH1A1LMNA
SCHEMBL28357165 0.80 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL1747883 0.79 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL11916730 0.78 F2RL3 (0.50) KMT2AGPR52MEN1ALDH1A1MAPT
SCHEMBL3665150 0.78 KIF11 (0.45) TGFBR1KMT2AMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US 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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 TGFBR1 663/4885KMT2A 1003/4885GPR52 282/4885

“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.