SCHEMBL18436315

SCHEMBL18436315

Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 6/20 0.52
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.40
PRKDC P78527 1/20 0.39
MEN1 O00255 3/20 0.39
TSHR P16473 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18436950 1.00 KMT2A (0.53) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL25039838 0.83 KMT2A (0.50) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL17128158 0.83 KMT2A (0.50) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL17128373 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL19012905 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL21336574 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL25042437 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL19012559 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL19001147 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2
SCHEMBL19012698 0.81 KMT2A (0.48) KMT2AALDH1A1KDM4EGAACYP1A2

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
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 EP 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-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS SMO, GLI1, SHH KMT2A 325/4885ALDH1A1 892/4885KDM4E 415/4885

“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.