SCHEMBL341483

SCHEMBL341483

Cc1cc(Nc2cc(C3CC3)n[nH]2)nc(N2C[C@@H](CC(=O)O)C[C@@H](C3CCCCC3)C2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.36
GAA P10253 1/20 0.34
RBP4 P02753 6/20 0.34
ROCK2 O75116 2/20 0.33
FFAR4 Q5NUL3 2/20 0.33
IGF1R P08069 1/20 0.33
PPARG P37231 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL341481 1.00 RET (0.36) RETGAARBP4ROCK2FFAR4
SCHEMBL341482 1.00 RET (0.36) RETGAARBP4ROCK2FFAR4
Trifluoroacetic Acid SCHEMBL343440 0.95 RBP4 (0.35) RETGAARBP4FFAR4PPARG
Trifluoroacetic Acid SCHEMBL343442 0.95 RBP4 (0.35) RETGAARBP4FFAR4PPARG
SCHEMBL342895 0.87 KDM4E (0.41) RETGAARBP4ROCK2PPARG
SCHEMBL342894 0.87 KDM4E (0.41) RETGAARBP4ROCK2PPARG
SCHEMBL342896 0.87 KDM4E (0.41) RETGAARBP4ROCK2PPARG
SCHEMBL343441 0.87 RBP4 (0.34) RETGAARBP4ROCK2PPARG
SCHEMBL10093488 0.86 IGF1R (0.43) RETIGF1R
SCHEMBL10093472 0.86 IGF1R (0.43) RETIGF1R

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 6 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 claimed
CN-102497863-A Novel aminopyridine derivatives having Aurora a selective inhibitory action MSD KK 2012-06-13 CN claimed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 US claimed
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
CN-102497863-A Novel aminopyridine derivatives having Aurora a selective inhibitory action MSD KK 2012-06-13 CN 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 RET 1430/4885GAA 4768/4885RBP4 4608/4885

“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.