SCHEMBL3153403

SCHEMBL3153403

Nc1ccc(CNC(=O)[C@@H](N)Cc2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.45
TSHR P16473 2/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
EPHX2 P34913 1/20 0.42
NAMPT P43490 3/20 0.42
F7 P08709 1/20 0.41
PNMT P11086 1/20 0.40
NLN Q9BYT8 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
KCNH2 Q12809 1/20 0.40
HDAC1 Q13547 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40

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 SCHEMBL1432721 0.99 MASP2 (0.45) MASP2TSHRROCK2ROCK1EPHX2
Hydrochloric Acid SCHEMBL1432716 0.99 MASP2 (0.45) MASP2TSHRROCK2ROCK1EPHX2
Trifluoroacetic Acid SCHEMBL1434678 0.93 OPRK1 (0.46) MASP2ROCK2ROCK1NAMPT
SCHEMBL3149376 0.88 MASP2 (0.43) MASP2ROCK2ROCK1EPHX2F7
SCHEMBL1431486 0.88 MASP2 (0.43) MASP2ROCK2ROCK1EPHX2F7
SCHEMBL3153048 0.87 KLKB1 (0.49) MASP2
SCHEMBL1431700 0.87 KLKB1 (0.49) MASP2
SCHEMBL3139300 0.86 MASP2 (0.47) MASP2ROCK2EPHX2NAMPTNLN
SCHEMBL3144724 0.86 MASP2 (0.46) MASP2EPHX2NAMPTPNMT
SCHEMBL3154590 0.85 EPHX2 (0.47) MASP2EPHX2NAMPTNLN

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-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US claimed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO 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 (1 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885TSHR 2969/4885ROCK2 983/4885

“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.