SCHEMBL17540776

SCHEMBL17540776

FC(F)(F)C#Cc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 2/20 0.55
▸ IMPDH1 P20839 1/20 0.55
▸ MAPK1 P28482 1/20 0.44
▸ ATM Q13315 1/20 0.41
▸ GPR84 Q9NQS5 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NR4A2 P43354 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PRKCG P05129 1/20 0.39
▸ PRKCB P05771 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL17667979 0.76 IMPDH2 (0.60) IMPDH2IMPDH1MAPK1ATMGPR84
SCHEMBL3760031 0.76 IMPDH2 (0.60) IMPDH2IMPDH1ATMGPR84CYP3A4
SCHEMBL3769477 0.75 IMPDH2 (0.64) IMPDH2IMPDH1ATMGPR84CYP3A4
SCHEMBL17506602 0.74 IMPDH2 (0.69) IMPDH2IMPDH1ATMGPR84CYP3A4
SCHEMBL14837630 0.74 IMPDH2 (0.58) IMPDH2IMPDH1ATMGPR84CYP3A4
SCHEMBL8161503 0.73 IMPDH2 (0.56) IMPDH2IMPDH1ATMGPR84CYP3A4
SCHEMBL5797502 0.71 IMPDH2 (0.55) IMPDH2IMPDH1MAPK1ATMGPR84
SCHEMBL13471396 0.71 ALDH1A1 (0.33) CYP3A4MEN1MAPTKMT2ACYP1A2
SCHEMBL1752696 0.71 IMPDH2 (0.64) IMPDH2IMPDH1ATMGPR84CYP3A4
SCHEMBL7237886 0.71 IMPDH2 (0.64) IMPDH2IMPDH1ATMGPR84CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377711-B2 Cannabinoid type 1 receptor modulators THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2019-08-13 — — US disclosed
US-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2018-05-03 — — US disclosed
EP-3186225-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS The Governing Council of the University of Toronto (CA) 2017-07-05 — — EP disclosed
WO-2016029310-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2016-03-03 — — 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 (2 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-20180118681-A1 CANNABINOID TYPE 1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 IMPDH2 2996/4885IMPDH1 2038/4885MAPK1 1044/4885
US-10377711-B2 Cannabinoid type 1 receptor modulators CNR1, CNR2, GPR18 IMPDH2 2996/4885IMPDH1 2038/4885MAPK1 1044/4885

“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.

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