SCHEMBL790258

SCHEMBL790258

NC1CCN(Cc2ccncc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
ATM Q13315 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PIM1 P11309 1/20 0.40
CYP2D6 P10635 2/20 0.39
GPR6 P46095 1/20 0.39
POLB P06746 1/20 0.38
ERBB2 P04626 3/20 0.38
EGFR P00533 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.38
KDR P35968 1/20 0.38
RPS6KA5 O75582 1/20 0.38
OPRK1 P41145 1/20 0.37
CXCR3 P49682 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
SCHEMBL30031635 0.91 JAK2 (0.48) LOXL2JAK2JAK1TYK2JAK3
SCHEMBL937844 0.82 ALDH1A1 (0.56) LOXL2JAK2JAK1TYK2JAK3
SCHEMBL937213 0.82 LOXL2 (0.52) LOXL2JAK2JAK1TYK2JAK3
SCHEMBL14190031 0.82 JAK2 (0.47) JAK2JAK1TYK2JAK3ATM
SCHEMBL18713008 0.78 LOXL2 (0.47) LOXL2JAK2JAK1TYK2JAK3
SCHEMBL18713018 0.78 LOXL2 (0.47) LOXL2JAK2JAK1TYK2JAK3
SCHEMBL2858039 0.78 ALDH1A1 (0.64) ATMPOLBALDH1A1OPRK1CXCR3
SCHEMBL937924 0.76 MAP4K4 (0.41) LOXL2JAK2JAK1TYK2JAK3
SCHEMBL8107893 0.75 KDM4E (0.66) JAK2JAK1TYK2JAK3ERBB2
SCHEMBL6948669 0.75 KDM4E (0.66) JAK2JAK1TYK2JAK3ERBB2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 LOXL2 3864/4885JAK2 1298/4885JAK1 1517/4885

“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.