SCHEMBL3380451

SCHEMBL3380451

O=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
ROCK1 Q13464 1/20 0.63
PORCN Q9H237 2/20 0.60
JAK2 O60674 1/20 0.59
TYK2 P29597 1/20 0.59
NAMPT P43490 2/20 0.58
ACP1 P24666 1/20 0.58
CYP3A4 P08684 3/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 1/20 0.57
ABL1 P00519 1/20 0.57
ADH5 P11766 1/20 0.56
KMT2A Q03164 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP4Z1 Q86W10 1/20 0.56
HTT P42858 3/20 0.55
HDAC4 P56524 1/20 0.55
MEN1 O00255 1/20 0.55

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
SCHEMBL22661803 0.92 CYP3A4 (0.64) MAPTL3MBTL1ROCK1PORCNCYP3A4
SCHEMBL8770808 0.88 ROCK1 (0.60) MAPTL3MBTL1ROCK1PORCNCYP3A4
SCHEMBL1666107 0.88 ROCK1 (0.60) MAPTL3MBTL1ROCK1PORCNCYP3A4
SCHEMBL25135525 0.86 ABL1 (0.71) L3MBTL1ROCK1NAMPTCYP3A4RAB9A
SCHEMBL13315310 0.86 ROCK1 (0.57) MAPTL3MBTL1ROCK1PORCNCYP3A4
SCHEMBL8773472 0.85 HTT (0.58) MAPTROCK1PORCNCYP3A4RAB9A
SCHEMBL19662750 0.84 NT5E (0.65) L3MBTL1CYP3A4RAB9ASMN1; SMN2ABL1
SCHEMBL7118764 0.84 ABL1 (0.59) MAPTL3MBTL1ROCK1PORCNACP1
SCHEMBL19663327 0.84 ABL1 (0.59) MAPTL3MBTL1ROCK1PORCNACP1
SCHEMBL21254474 0.82 KMT2A (0.57) MAPTL3MBTL1ROCK1CYP3A4ALDH1A1

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-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (4 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MAPT 2884/4885L3MBTL1 1040/4885ROCK1 1741/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 MAPT 4874/4885L3MBTL1 3199/4885ROCK1 4600/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MAPT 2884/4885L3MBTL1 1040/4885ROCK1 1741/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP MAPT 2960/4885L3MBTL1 1996/4885ROCK1 1720/4885

“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.