Sugi Predict

Sugi Predict / Compounds / SCHEMBL4134757

SCHEMBL4134757

SCHEMBL4134757

O=c1nc[nH]c2ccc(-c3nc4cc(-c5nnn[nH]5)ccc4n3C3CCCCC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ CYP11B2 P19099 5/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL4505966 0.86 L3MBTL1 (0.36) CYP11B2OPRM1OPRL1L3MBTL1KDM4E
SCHEMBL4116998 0.83 CYP11B2 (0.36) CYP11B2OPRM1OPRL1L3MBTL1CYP1A2
SCHEMBL4117238 0.81 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4130110 0.80 L3MBTL1 (0.35) CYP11B2OPRM1OPRL1L3MBTL1KDM4E
SCHEMBL4137491 0.79 CYP11B2 (0.41) CYP11B2OPRM1OPRL1L3MBTL1KDM4E
SCHEMBL13905015 0.79 ALDH1A1 (0.34) CYP11B2OPRM1OPRL1L3MBTL1CYP3A4
SCHEMBL6773423 0.78 ACVR1 (0.33) —
SCHEMBL4130964 0.78 CYP11B2 (0.38) CYP11B2OPRM1OPRL1L3MBTL1KDM4E
SCHEMBL4118354 0.78 CYP11B2 (0.42) CYP11B2OPRM1OPRL1L3MBTL1KDM4E
SCHEMBL13905028 0.78 CYP11B2 (0.42) CYP11B2OPRM1OPRL1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 — — US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 — — 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 PIK3CA 1303/4885MTOR 2438/4885CYP11B2 452/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 PIK3CA 1303/4885MTOR 2438/4885CYP11B2 452/4885

“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.