SCHEMBL343085

SCHEMBL343085

Cc1cc(Nc2ccn[nH]2)nc(N2CC(C(=O)OC(=O)C(F)(F)F)CC(C3CCCCC3)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.36
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
ROCK2 O75116 3/20 0.35
PPARG P37231 1/20 0.34
SYK P43405 1/20 0.33
RET P07949 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL343600 0.91 AURKA (0.39) RBP4HCRTR1HCRTR2AURKAAURKB
Trifluoroacetic Acid SCHEMBL343601 0.91 AURKA (0.39) RBP4HCRTR1HCRTR2AURKAAURKB
SCHEMBL343491 0.90 HCRTR1 (0.38) RBP4HCRTR1HCRTR2ROCK2RET
SCHEMBL343490 0.90 HCRTR1 (0.38) RBP4HCRTR1HCRTR2ROCK2RET
SCHEMBL343492 0.90 HCRTR1 (0.38) RBP4HCRTR1HCRTR2ROCK2RET
Trifluoroacetic Acid SCHEMBL343086 0.88 AURKA (0.39) RBP4HCRTR1HCRTR2AURKAAURKB
Trifluoroacetic Acid SCHEMBL343084 0.88 AURKA (0.39) RBP4HCRTR1HCRTR2AURKAAURKB
SCHEMBL342592 0.86 KDM4E (0.45)
SCHEMBL341449 0.86 KDM4E (0.45)
SCHEMBL341655 0.86 RBP4 (0.35) RBP4ROCK2PPARGSYKRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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 (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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB RBP4 4608/4885HCRTR1 619/4885HCRTR2 463/4885

“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.