SCHEMBL18436618

SCHEMBL18436618

CC1CN(C)Cc2nnc(C(F)(F)F)n21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PARP1 P09874 3/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
DPP4 P27487 8/20 0.31
DPP9 Q86TI2 5/20 0.31
DPP8 Q6V1X1 5/20 0.31
DPP7 Q9UHL4 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL19012507 0.81 PDK1 (0.36) PDK1PDK2PARP1TNKSTNKS2
SCHEMBL19012509 0.74 PARP1 (0.35) PDK1PDK2PARP1TNKSTNKS2
SCHEMBL15492374 0.74 PARP1 (0.44) PDK1PDK2PARP1TNKSTNKS2
SCHEMBL19058891 0.73 PARP1 (0.44) PDK1PDK2PARP1TNKSTNKS2
SCHEMBL5935898 0.72 PDK1 (0.45) PDK1PDK2PARP1TNKSTNKS2
SCHEMBL3868872 0.68
SCHEMBL8171386 0.67 DPP4 (0.43) DPP4DPP9DPP8DPP7P2RX7
SCHEMBL4431123 0.67 HTR2C (0.30)
SCHEMBL22506639 0.64 PDK1 (0.60) PDK1PDK2
SCHEMBL22506640 0.64 PDK1 (0.60) PDK1PDK2

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 PDK1 1315/4885PDK2 1509/4885PARP1 2982/4885

“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.