SCHEMBL3125437

SCHEMBL3125437

COc1ccc(C(N)c2nc(CCl)nc3ccccc23)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
ACHE P22303 4/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NQO2 P16083 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2A P29274 2/20 0.35
NCF1 P14598 1/20 0.35
ACP1 P24666 1/20 0.35
ACACA Q13085 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL3113718 0.90 KDM4E (0.38) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3114638 0.90 GRM2 (0.43) GRM2ACHELMNAMEN1KMT2A
SCHEMBL3114553 0.84 EGFR (0.45) GRM2LMNAMEN1KMT2ANPC1
SCHEMBL92715 0.82 ADORA2A (0.41) LMNAMEN1KMT2ANPC1POLB
Hydrochloric Acid SCHEMBL1685027 0.81 CYP1A2 (0.42) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3108408 0.80 KDM4E (0.39) LMNAMEN1KMT2ANPC1POLB
SCHEMBL3118667 0.78 ABCG2 (0.40) ACHELMNAMEN1KMT2ANPC1
SCHEMBL3120768 0.77 HTT (0.35) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL3109898 0.76 HTT (0.34) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3114972 0.75 MAPT (0.44) LMNAMEN1KMT2ANPC1POLB

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-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-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 (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-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX GRM2 4739/4885ACHE 3180/4885LMNA 940/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX GRM2 4698/4885ACHE 3329/4885LMNA 1005/4885

“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.