SCHEMBL8043074

SCHEMBL8043074

Cc1nc(N(C)C)sc1-c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
SARM1 Q6SZW1 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
GPR52 Q9Y2T5 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ESR2 Q92731 1/20 0.37

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
SCHEMBL11916723 0.86 KMT2A (0.41) KMT2AMAPTMEN1GPR52TAAR1
SCHEMBL7946636 0.84 ALDH1A1 (0.44) KMT2AMAPTMEN1GAANPC1
SCHEMBL11916729 0.84 KMT2A (0.42) KMT2AMAPTMEN1GPR52TAAR1
SCHEMBL2632548 0.82 CA12 (0.42) KMT2AMAPTMEN1GPR52GAA
SCHEMBL9955904 0.81 KMT2A (0.49) KMT2AMAPTGPR52GAANPC1
SCHEMBL327563 0.81 CDK4 (0.51) KMT2AMAPTGPR52GAAADORA3
SCHEMBL2632547 0.80 ALDH1A1 (0.51) KMT2AMAPTMEN1HTTGAA
SCHEMBL7938350 0.79 FLT3 (0.47) KMT2AMAPTMEN1HTTGPR52
SCHEMBL984930 0.79 PIN1 (0.49) KMT2AMAPTMEN1HCRTR1HCRTR2
SCHEMBL9953765 0.78 TGFBR1 (0.48) KMT2AMAPTMEN1GPR52MAPK1

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
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 KMT2A 538/4885SARM1 1156/4885MAPT 3283/4885

“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.