SCHEMBL22799749

SCHEMBL22799749

CCc1cccc(-c2cccnc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.51
▸ PDCD1 Q15116 1/20 0.50
▸ CD274 Q9NZQ7 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KCNA5 P22460 2/20 0.48
▸ CYP2A6 P11509 6/20 0.47
▸ PARP10 Q53GL7 1/20 0.47
▸ PARP11 Q9NR21 1/20 0.47
▸ CYP3A4 P08684 4/20 0.46
▸ CYP2E1 P05181 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2B6 P20813 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PTGS2 P35354 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL30091380 0.87 PDCD1 (0.69) EPHX1PDCD1CD274ALDH1A1KCNA5
SCHEMBL11074941 0.87 PDCD1 (0.69) EPHX1PDCD1CD274ALDH1A1KCNA5
SCHEMBL9285273 0.84 KCNA5 (0.59) ALDH1A1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL22272472 0.83 CYP2A6 (0.46) ALDH1A1KMT2ALMNASMN1; SMN2L3MBTL1
SCHEMBL23066174 0.80 CD274 (0.46) EPHX1PDCD1CD274LMNASMN1; SMN2
SCHEMBL21742825 0.79 PTGS2 (0.54) EPHX1PDCD1CD274ALDH1A1SMN1; SMN2
SCHEMBL18378751 0.79 CYP2A6 (0.56) ALDH1A1LMNASMN1; SMN2CYP2A6PARP10
SCHEMBL607544 0.78 CD274 (0.71) EPHX1PDCD1CD274KMT2A
SCHEMBL4248368 0.77 CYP2A6 (0.50) ALDH1A1LMNASMN1; SMN2CYP2A6PARP10
SCHEMBL1771368 0.76 TP53 (0.50) ALDH1A1LMNASMN1; SMN2CYP2A6PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 — — 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-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS EPHX1 1998/4885PDCD1 3404/4885CD274 2821/4885

“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.

Send feedback