SCHEMBL21097067

SCHEMBL21097067

COC(=O)c1ccc(-c2nc3ccccn3c2C(=O)OCC(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ ALDH1A1 P00352 8/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ KDM4E B2RXH2 4/20 0.48
▸ DAPK3 O43293 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ MAP4K4 O95819 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ CSF1R P07333 1/20 0.48
▸ RET P07949 1/20 0.48
▸ MET P08581 1/20 0.48
▸ PDGFRA P16234 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ LTK P29376 1/20 0.48
▸ GRK5 P34947 1/20 0.48
▸ KDR P35968 1/20 0.48

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
SCHEMBL20579799 0.89 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579832 0.89 CYP1A2 (0.66) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579758 0.89 CYP1A2 (0.72) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579783 0.87 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL21096489 0.87 CYP1A2 (0.80) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20580270 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579820 0.82 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20580266 0.81 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579760 0.79 MAPK1 (0.74) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579780 0.77 NPC1 (0.78) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1

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-10323033-B2 Imidazo[1,2-A]pyridine-3-carboxylate derivative and preparation method thereof KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2019-06-18 — — 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-10323033-B2 Imidazo[1,2-A]pyridine-3-carboxylate derivative and preparation method thereof AZI2, AOC3, AOC2 SMN1; SMN2 1569/4885CYP1A2 10/4885CYP2C9 219/4885

“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.

Send feedback