SCHEMBL20580270

SCHEMBL20580270

O=C(OCC(F)(F)F)c1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccn12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP1A2 P05177 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ MARK4 Q96L34 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPT P10636 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NTRK1 P04629 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL20579758 0.87 CYP1A2 (0.72) SMN1; SMN2CYP1A2CYP2C9CYP2C19MARK4
SCHEMBL20579850 0.86 CYP1A2 (0.75) SMN1; SMN2CYP1A2CYP2C9CYP2C19MARK4
SCHEMBL20579832 0.85 CYP1A2 (0.66) SMN1; SMN2CYP1A2CYP2C9CYP2C19MARK4
SCHEMBL20579783 0.85 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19MARK4
SCHEMBL20579799 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19MARK4
SCHEMBL21097067 0.83 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579820 0.78 CYP1A2 (0.62) SMN1; SMN2CYP1A2CYP2C9CYP2C19MARK4
SCHEMBL20579798 0.77 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20580266 0.77 CYP1A2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL20579760 0.76 MAPK1 (0.74) 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 3 patents. 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
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
US-20180354948-A1 IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLATE DERIVATIVE AND PREPARATION METHOD THEREOF KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2018-12-13 — — 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 (2 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-20180354948-A1 IMIDAZO[1,2-A]PYRIDINE-3-CARBOXYLATE DERIVATIVE AND PREPARATION METHOD THEREOF AZI2, AOC3, AOC2 SMN1; SMN2 1569/4885CYP1A2 10/4885CYP2C9 219/4885
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.

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