SCHEMBL317170

SCHEMBL317170

COC1CCN(c2ccncc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.42
PRKG1 Q13976 8/20 0.42
CYP1A2 P05177 2/20 0.41
LIMK2 P53671 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
ATR Q13535 3/20 0.40
ACACB O00763 1/20 0.39
AOC3 Q16853 1/20 0.38
CDK4 P11802 2/20 0.38
PDE1B Q01064 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL7956455 0.82 ROCK2 (0.37) ROCK2PRKG1CYP1A2LIMK2EHMT2
SCHEMBL7956390 0.78 PIM1 (0.42) ROCK2PRKG1CYP1A2LIMK2PIM1
SCHEMBL20755270 0.77 GAA (0.46) ROCK2PRKG1EHMT2
SCHEMBL7947501 0.75 LIPG (0.61)
SCHEMBL31480867 0.74 ALDH1A1 (0.48) ACACB
SCHEMBL15783909 0.74 MAPT (0.52) ATR
SCHEMBL30149942 0.74 NOTUM (0.42) EHMT2ACACB
SCHEMBL20756736 0.74 ROCK2 (0.42) ROCK2PRKG1CYP1A2LIMK2EHMT2
SCHEMBL15676577 0.74 NOTUM (0.42) EHMT2ACACB
SCHEMBL785590 0.74 ROCK2 (0.51) ROCK2PRKG1EHMT2ATRPIM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 ROCK2 2742/4885PRKG1 874/4885CYP1A2 650/4885

“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.