SCHEMBL6472092

SCHEMBL6472092

CC1(C2CCCCC2)CCCc2nc(N)nc(N)c21

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
APAF1 O14727 1/20 0.30
NSD2 O96028 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6471053 0.85
SCHEMBL512166 0.75 KDM4E (0.40) KDM4EHRH2HRH3APAF1NSD2
SCHEMBL513211 0.68 LIMK1 (0.36) KDM4EAPAF1NSD2ALDH1A1TP53
SCHEMBL11800559 0.65 CYP19A1 (0.46) ALDH1A1MAPT
SCHEMBL24287262 0.65 KDM4E (0.37) KDM4EAPAF1NSD2ALDH1A1TP53
SCHEMBL13979324 0.63 CYP19A1 (0.51)
SCHEMBL5751481 0.61 KDM4E (0.30) KDM4E
SCHEMBL178322 0.60 CYP19A1 (0.53)
SCHEMBL103226 0.60 CYP19A1 (0.53)
SCHEMBL13261222 0.60 CYP19A1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 KDM4E 1190/4885HRH2 43/4885HRH3 25/4885

“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.