Sugi Predict

Sugi Predict / Compounds / SCHEMBL4834119

SCHEMBL4834119

SCHEMBL4834119

Cc1cc2ccccc2c(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ POLB P06746 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ XBP1 P17861 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ CA1 P00915 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
SCHEMBL9463944 0.86 KDM4E (0.42) KDM4EALDH1A1POLBTDP1CYP1A2
SCHEMBL11845987 0.80 KDM4E (0.47) KDM4EALDH1A1MAPTNCOA3CA1
SCHEMBL1699621 0.79 ALDH1A1 (0.57) KDM4EALDH1A1CYP1A2CYP2A6MAPK1
SCHEMBL11185870 0.77 CYP1A2 (0.50) KDM4EALDH1A1POLBTDP1CYP1A2
SCHEMBL31141533 0.77 CYP1A2 (0.50) KDM4EALDH1A1POLBTDP1CYP1A2
SCHEMBL7820838 0.76 RECQL (0.46) KDM4EALDH1A1POLBCYP1A2CYP2A6
SCHEMBL1840635 0.75 CYP1A2 (0.48) KDM4EALDH1A1POLBTDP1CYP1A2
SCHEMBL11715971 0.74 PKM (0.53) KDM4EALDH1A1POLBTDP1CYP1A2
SCHEMBL11132382 0.74 KDM4E (0.54) KDM4EALDH1A1POLBTDP1MAPK1
SCHEMBL14567393 0.74 ALDH1A1 (0.52) KDM4EALDH1A1POLBTDP1HSD17B10

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-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 — — US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 — — US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 — — 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 (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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885ALDH1A1 3771/4885POLB 3657/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885ALDH1A1 3771/4885POLB 3657/4885

“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.