SCHEMBL13587229

SCHEMBL13587229

Cc1cccc(Nc2nc3cc(C#N)cc(C(=O)O)c3[nH]2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
CSNK1D P48730 3/20 0.37
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
AKR1C3 P42330 3/20 0.35
FTO Q9C0B1 2/20 0.35
TTR P02766 2/20 0.35
AKR1B10 O60218 2/20 0.35
ABCB11 O95342 2/20 0.35
CHRM1 P11229 2/20 0.35
PTGS1 P23219 2/20 0.35
PTGS2 P35354 2/20 0.35
AKR1C2 P52895 2/20 0.35
AKR1C1 Q04828 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
FABP2 P12104 1/20 0.35
RXRA P19793 1/20 0.35
TBXA2R P21731 1/20 0.35
NR4A1 P22736 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL1116205 0.90 MAPT (0.42) CSNK1DMEN1KMT2AAKR1C3TTR
SCHEMBL1115897 0.81 MAPT (0.42) MEN1KMT2APTGS2MAPK1NR4A2
SCHEMBL1116255 0.76 MAPT (0.46) MEN1KMT2AAKR1C3FTOTTR
SCHEMBL1116018 0.75 MAPT (0.42) CSNK1DCSNK1A1GSK3BCSNK1G2MAPT
SCHEMBL12856619 0.74 MAPT (0.44) MEN1KMT2AAKR1C3FTOTTR
SCHEMBL12856631 0.74 MAPT (0.44) MEN1KMT2AAKR1C3TTRPTGS2
SCHEMBL1116024 0.74 MAPT (0.44) MEN1KMT2AAKR1C3TTRPTGS2
SCHEMBL2926922 0.74 MAPT (0.44) MEN1KMT2AAKR1C3TTRPTGS2
SCHEMBL1115902 0.73 FABP3 (0.45) MEN1KMT2AAKR1C3AKR1C2MAPT
SCHEMBL13177247 0.72 KMT2A (0.48) MEN1KMT2AAKR1C3FTOAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298824-A1 Organic compounds PRESS NEIL J 2009-12-03 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-20090298824-A1 Organic compounds CXCR2, CXCR3, CXCR1 P2RX7 106/4885CSNK1D 1591/4885MEN1 3708/4885

“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.