SCHEMBL3156281

SCHEMBL3156281

Cc1ccnc2c(C#N)cccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.56
COPS5 Q92905 2/20 0.56
CCR1 P32246 3/20 0.53
CCR8 P51685 3/20 0.53
CCR5 P51681 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 3/20 0.43
SLC6A2 P23975 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
AR P10275 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL3142508 0.86 PSMD14 (0.56) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL23832886 0.83 HTT (0.46) HTTPTGDR2ARALDH1A1LRRK2
SCHEMBL10008410 0.79 NR4A2 (0.56) TSHRHTTPTGDR2ARALDH1A1
SCHEMBL4012471 0.79 KDM4E (0.42) L3MBTL1TSHRHTTPTGDR2AR
SCHEMBL5759312 0.79 HTR1A (0.51) PSMD14COPS5CCR1CCR8CCR5
SCHEMBL317372 0.79 KDM4E (0.49) CCR1CCR8L3MBTL1HTTSLC6A2
SCHEMBL667933 0.79 HTT (0.42) HTTPTGDR2ARALDH1A1HSP90AA1
SCHEMBL18368395 0.78 ALDH1A1 (0.38) PSMD14COPS5HTTPTGDR2AR
SCHEMBL16132482 0.77 CCR1 (0.55) CCR1CCR8CCR5L3MBTL1TSHR
SCHEMBL2607397 0.77 PSMD14 (0.68) PSMD14COPS5CCR1CCR8CCR5

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
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 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-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS PSMD14 3798/4885COPS5 2234/4885CCR1 3493/4885

“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.