SCHEMBL26046037

SCHEMBL26046037

CC(=O)Cc1cc(-c2ccccc2)ncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 7/20 0.54
▸ MIF P14174 1/20 0.46
▸ ASIC3 Q9UHC3 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ LDHA P00338 1/20 0.43
▸ ADORA3 P0DMS8 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HRH4 Q9H3N8 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
SCHEMBL23374466 0.84 KMO (0.54) KMOMIFASIC3KMT2ALDHA
SCHEMBL12002395 0.83 KMO (0.50) KMOMIFASIC3KMT2ALDHA
SCHEMBL28317349 0.79 CYP1A2 (0.46) KMOKMT2ACYP1A2CYP2C19TP53
SCHEMBL16815454 0.78 ASIC3 (0.53) KMOMIFASIC3KMT2ACYP1A2
SCHEMBL10271328 0.78 KMT2A (0.56) KMOMIFASIC3KMT2ACYP1A2
SCHEMBL28876222 0.77 ALDH1A1 (0.41) KMOCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL28318321 0.76 ADORA2B (0.43) KMT2AADORA3NPC1RAB9ATP53
SCHEMBL1509639 0.74 ASIC3 (0.58) KMOMIFASIC3KMT2ACYP1A2
SCHEMBL12088824 0.73 ASIC3 (0.49) KMOMIFASIC3KMT2AADORA3
SCHEMBL23020320 0.73 MIF (0.52) KMOMIFASIC3KMT2ACYP1A2

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-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 — — 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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 KMO 458/4885MIF 3156/4885ASIC3 2690/4885

“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