SCHEMBL649017

SCHEMBL649017

CCCCn1c(-c2ccc(C)cc2)nc(Cl)c1CN(CCC(C)C)Cc1ccc2[nH]cc(C#N)c2c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
ATM Q13315 1/20 0.32
KDM5A P29375 3/20 0.32
KDM4A O75164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL648022 0.90 ATM (0.34) ATM
SCHEMBL647954 0.88 KMT2A (0.34) SLC6A4
SCHEMBL648038 0.78 KMT2A (0.36)
SCHEMBL648912 0.73 KMT2A (0.37)
SCHEMBL650504 0.72 C5AR1 (0.53)
SCHEMBL650154 0.70 KMT2A (0.39)
SCHEMBL648160 0.70 MEN1 (0.34)
SCHEMBL650605 0.69 TRPA1 (0.38)
SCHEMBL647955 0.69 MEN1 (0.36) SLC6A4
SCHEMBL651017 0.67 MEN1 (0.35)

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed
US-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-06 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-20070208048-A1 New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators C3AR1, C5AR1, C5AR2 SLC6A4 2702/4885ATM 1604/4885KDM5A 1796/4885

“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.