SCHEMBL19322639

SCHEMBL19322639

CCC(C)c1ccnc(N2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH4 Q9H3N8 2/20 0.47
ALDH1A1 P00352 3/20 0.44
LRRK2 Q5S007 4/20 0.39
MAPK14 Q16539 1/20 0.38
NMT1 P30419 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PIK3CA P42336 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
SCHEMBL22201730 0.88 HRH4 (0.51) MEN1KMT2AHRH4ALDH1A1LRRK2
SCHEMBL18931264 0.87 PIK3CA (0.51) MEN1KMT2AALDH1A1LRRK2PIK3CA
SCHEMBL2737324 0.83 HRH4 (0.51) MEN1KMT2AHRH4LRRK2ITGB2
SCHEMBL11951622 0.82 HRH4 (0.54) HRH4ALDH1A1LRRK2NMT1ITGB2
SCHEMBL4547903 0.80 HRH4 (0.47) MEN1KMT2AHRH4LRRK2ITGB2
SCHEMBL16019498 0.76 PANK3 (0.48) MEN1KMT2AHRH4ITGB2ICAM1
SCHEMBL18924652 0.76 MEN1 (0.48) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL18930172 0.75 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL24652016 0.74 HRH4 (0.52) HRH4ALDH1A1LRRK2KDM4E
SCHEMBL15341762 0.74 LRRK2 (0.42) MEN1KMT2AHRH4LRRK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 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-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 MEN1 766/4885KMT2A 492/4885HRH4 70/4885

“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.