Sugi Predict

Sugi Predict / Compounds / SCHEMBL3121127

SCHEMBL3121127

SCHEMBL3121127

COc1ccc(C(N)c2nc(CCl)nc3cccc(F)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 1/20 0.38
▸ MAPT P10636 4/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GAA P10253 4/20 0.35
▸ MAOB P27338 1/20 0.35
▸ PIK3CD O00329 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MMP13 P45452 1/20 0.32
▸ CTSA P10619 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 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
Hydrochloric Acid SCHEMBL3118102 0.99 GPR139 (0.38) GPR139MAPTNPC1POLBRAB9A
SCHEMBL3116815 0.90 GPR139 (0.39) GPR139MAPTNPC1RAB9AKDM4E
SCHEMBL3118920 0.89 RAB9A (0.38) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL92715 0.81 ADORA2A (0.41) MAPTNPC1POLBRAB9AKDM4E
Hydrochloric Acid SCHEMBL1685027 0.80 CYP1A2 (0.42) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL3113137 0.80 GPR139 (0.38) GPR139MAPTNPC1RAB9AGAA
SCHEMBL3117176 0.79 LMNA (0.35) MAPTNPC1POLBRAB9AKDM4E
SCHEMBL3120768 0.78 HTT (0.35) MAPTNPC1RAB9AALDH1A1JAK2
Hydrochloric Acid SCHEMBL3109898 0.78 HTT (0.34) MAPTNPC1RAB9AALDH1A1JAK2
SCHEMBL3115203 0.77 PLA2G2A (0.39) GPR139MAPTNPC1POLBRAB9A

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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 — — US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 — — US disclosed
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-03-18 — — US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 — — 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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX GPR139 3975/4885MAPT 4241/4885NPC1 1660/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX GPR139 3421/4885MAPT 4082/4885NPC1 1463/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 GPR139 4023/4885MAPT 3821/4885NPC1 297/4885

“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.