SCHEMBL3115203

SCHEMBL3115203

COc1ccc(C(N)c2nc(CCl)nc3ccc(F)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.39
GPR139 Q6DWJ6 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 1/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
FLT3 P36888 2/20 0.36
GPR35 Q9HC97 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCD O00767 3/20 0.35
ACP1 P24666 1/20 0.35
AKR1B10 O60218 1/20 0.35

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
SCHEMBL3118647 0.90 PLA2G2A (0.40) PLA2G2AGPR139ROCK2ROCK1GPR84
Hydrochloric Acid SCHEMBL3113768 0.89 PLA2G2A (0.39) PLA2G2AGPR139ROCK2ROCK1GPR84
SCHEMBL3117811 0.86 MEN1 (0.39) ROCK2ROCK1NPC1POLBRAB9A
SCHEMBL92715 0.83 ADORA2A (0.41) NPC1POLBRAB9AKDM4EJAK2
Hydrochloric Acid SCHEMBL1685027 0.82 CYP1A2 (0.42) NPC1POLBRAB9AKDM4EJAK2
Hydrochloric Acid SCHEMBL3115925 0.81 MEN1 (0.45) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL3121127 0.77 GPR139 (0.38) GPR139NPC1POLBRAB9AKDM4E
Hydrochloric Acid SCHEMBL3118102 0.76 GPR139 (0.38) GPR139NPC1POLBRAB9AKDM4E
SCHEMBL3114730 0.76 MEN1 (0.43) ROCK2ROCK1NPC1RAB9AALDH1A1
SCHEMBL3108785 0.75 ROCK2 (0.43) PLA2G2AROCK2ROCK1NPC1RAB9A

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 PLA2G2A 2633/4885GPR139 3975/4885ROCK2 1682/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX PLA2G2A 2833/4885GPR139 3421/4885ROCK2 1593/4885
US-20100068197-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND THE USE THEREOF MKI67, CCNI, CCNA1 PLA2G2A 2703/4885GPR139 4023/4885ROCK2 372/4885

“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.