SCHEMBL20579783

SCHEMBL20579783

O=C(OCC(F)(F)F)c1c(-c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ KCNK3 O14649 5/20 0.51
▸ KCNK9 Q9NPC2 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ MARK4 Q96L34 4/20 0.49
▸ TUBB4A P04350 1/20 0.48
▸ TUBB P07437 1/20 0.48
▸ TUBA3C P0DPH7 1/20 0.48
▸ TUBA1B P68363 1/20 0.48
▸ TUBA4A P68366 1/20 0.48
▸ TUBB4B P68371 1/20 0.48
▸ TUBB3 Q13509 1/20 0.48
▸ TUBB2A Q13885 1/20 0.48
▸ TUBB8 Q3ZCM7 1/20 0.48
▸ TUBA3E Q6PEY2 1/20 0.48
▸ TUBA1A Q71U36 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
SCHEMBL20579758 0.91 CYP1A2 (0.72) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL20579832 0.89 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL21097067 0.87 SMN1; SMN2 (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL20579799 0.87 SMN1; SMN2 (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL20579833 0.86 NPC1 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNK3
SCHEMBL20580270 0.85 SMN1; SMN2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL20579955 0.83 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNK3
SCHEMBL20579820 0.82 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL20580266 0.80 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL22614998 0.78 TUBB4A (0.57) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1

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 CYP1A2 10/4885CYP2C9 219/4885CYP2C19 140/4885
US-10323033-B2 Imidazo[1,2-A]pyridine-3-carboxylate derivative and preparation method thereof AZI2, AOC3, AOC2 CYP1A2 10/4885CYP2C9 219/4885CYP2C19 140/4885

“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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