SCHEMBL19012437

SCHEMBL19012437

Cc1cnc2c(C)cccc2c1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
LITAF Q99732 1/20 0.40
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR1A P08908 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
RAD52 P43351 1/20 0.35
PDK2 Q15119 1/20 0.34

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
SCHEMBL19012578 0.93 PARP1 (0.40) TNFLITAFPARP1KDM4EHTR1A
SCHEMBL18436735 0.86 TNF (0.38) TNFLITAFPARP1KDM4EGAA
SCHEMBL21336609 0.84 HTR1A (0.39) TNFLITAFPARP1KDM4EGAA
SCHEMBL26247909 0.81 TNF (0.47) TNFLITAF
SCHEMBL18436553 0.78 PARP1 (0.36) TNFLITAFPARP1KDM4EHTR1A
SCHEMBL862479 0.71 CCR1 (0.68) PARP1KDM4EL3MBTL1HTR1AADRA1D
SCHEMBL19001001 0.71 TLR7 (0.31) PARP1
SCHEMBL18436757 0.70 HRH4 (0.43)
SCHEMBL18309493 0.69 CCR1 (0.39) KDM4EL3MBTL1HTR1AMEN1KMT2A
SCHEMBL19012433 0.68 PARP1 (0.44) PARP1KDM4EHTR1AADRA1DADRA1A

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
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

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 TNF 4603/4885LITAF 4107/4885PARP1 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.