SCHEMBL17128308

SCHEMBL17128308

CC(C)(O)c1ccc(N2CCNC(=O)C2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
OGA O60502 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
SMO Q99835 1/20 0.42
CCNT1 O60563 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
CDK9 P50750 1/20 0.40
CDK6 Q00534 1/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX5AP P20292 1/20 0.37

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
SCHEMBL14349622 0.89 HPGDS (0.45) HPGDSCCNT1CDK4CCND1CCND3
SCHEMBL9929442 0.84 HPGDS (0.50) HPGDSMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL17128345 0.80 OGA (0.50) HPGDSOGAHRH3SMOMAPT
Hydrochloric Acid SCHEMBL28341448 0.79 OGA (0.49) HPGDSOGAHRH3SMOMAPT
SCHEMBL9963945 0.79 GRIN2D (0.51) HPGDSCCNT1CDK4CCND1CCND3
SCHEMBL19012357 0.77 OGA (0.46) OGAHRH3SMOPIM1MAPT
SCHEMBL19001082 0.76 OGA (0.45) OGAHRH3SMOMAPTALDH1A1
SCHEMBL12184922 0.76 GRIN2D (0.51) HPGDSCCNT1CDK4CCND1CCND3
SCHEMBL15205734 0.76 GRIN2D (0.51) HPGDSCCNT1CDK4CCND1CCND3
SCHEMBL26944604 0.76 HPGDS (0.45) HPGDSHRH3CCNT1CDK4CCND1

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 7 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-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-9938292-B2 Quinoline derivatives as SMO inhibitors GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-10 US disclosed
US-20170174703-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-06-22 US 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
WO-2015144001-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS 南京明德新药研发股份有限公司 2015-10-01 WO 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 HPGDS 1171/4885OGA 2474/4885HRH3 321/4885

“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.