Sugi Predict

Sugi Predict / Compounds / SCHEMBL20114992

SCHEMBL20114992

SCHEMBL20114992

Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2C#N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.37
▸ CYP1A2 P05177 4/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL20150314 0.97 ABCG2 (0.39) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL21109693 0.91 CYP1A2 (0.37) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL20150309 0.91 ABCG2 (0.36) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL19953866 0.90 ALDH1A1 (0.37) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL20150308 0.90 NPSR1 (0.37) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL20150294 0.89 ABCG2 (0.38) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL20150307 0.89 ABCG2 (0.35) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL22242963 0.89 ALDH1A1 (0.35) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL21108343 0.89 CYP1A2 (0.35) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9
SCHEMBL21109695 0.89 CYP1A2 (0.36) ABCG2CYP1A2CYP2C19ALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 — — US disclosed
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 — — EP disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 — — US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 — — US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 — — 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 (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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 ABCG2 2585/4885CYP1A2 659/4885CYP2C19 1127/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885CYP1A2 659/4885CYP2C19 1127/4885

“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.