Sugi Predict

Sugi Predict / Compounds / SCHEMBL14727488

SCHEMBL14727488

SCHEMBL14727488

CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(C)nc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.64
▸ CYP3A4 P08684 5/20 0.64
▸ CLK4 Q9HAZ1 4/20 0.64
▸ HSD17B10 Q99714 3/20 0.64
▸ CYP2D6 P10635 2/20 0.64
▸ CYP2C19 P33261 2/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ PDE5A O76074 6/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ MAPK1 P28482 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ RAF1 P04049 1/20 0.49
▸ CCNE2 O96020 2/20 0.48
▸ CDK4 P11802 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ CDK2 P24941 2/20 0.48

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
SCHEMBL14475902 0.93 CYP1A2 (0.73) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14475835 0.89 CYP1A2 (0.76) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14475073 0.89 CYP1A2 (0.76) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14727502 0.89 CYP1A2 (0.61) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14474555 0.88 CYP1A2 (0.67) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14727977 0.87 CYP1A2 (0.65) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14475852 0.87 CYP1A2 (0.65) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14475850 0.87 CYP1A2 (0.65) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14475161 0.87 CYP1A2 (0.72) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL2156146 0.87 MEN1 (0.60) CYP1A2CYP3A4CLK4HSD17B10CYP2D6

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-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
US-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE GALENEA CORPORATION 2015-10-29 — — US disclosed
US-9073890-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 — — US disclosed
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — 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 (3 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-20150307477-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885CLK4 2170/4885
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG CYP1A2 4619/4885CYP3A4 4805/4885CLK4 1339/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA CYP1A2 4552/4885CYP3A4 4815/4885CLK4 2170/4885

“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.