SCHEMBL549096

SCHEMBL549096

COc1ccc(-n2nnc(-c3ccc(F)cc3Cl)c2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
IDO1 P14902 3/20 0.46
TDO2 P48775 3/20 0.46
TP53 P04637 3/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.43
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 1/20 0.42
NPBWR1 P48145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PMM2 O15305 1/20 0.38

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
SCHEMBL548342 0.88 POLB (0.60) POLBIDO1TDO2TP53MAPT
SCHEMBL549169 0.88 POLB (0.51) POLBIDO1TDO2TP53MAPT
SCHEMBL549179 0.83 POLB (0.58) POLBIDO1TDO2TP53MAPT
SCHEMBL548339 0.80 POLB (0.62) POLBTP53MAPTKMT2ASRC
SCHEMBL548193 0.78 POLB (0.55) POLBIDO1TDO2TP53MAPT
SCHEMBL548171 0.77 POLB (0.47) POLBIDO1TDO2TP53MAPT
SCHEMBL548302 0.77 POLB (0.69) POLBTP53MAPTKMT2ASRC
SCHEMBL2258147 0.73 IDO1 (0.42) POLBIDO1TDO2TP53MAPT
SCHEMBL31265226 0.70 GSK3B (0.48) MAPTKMT2ASMN1; SMN2ALDH1A1NPSR1
SCHEMBL11694239 0.70 GSK3B (0.48) MAPTKMT2ASMN1; SMN2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US claimed
US-8110588-B2 1,2,3-triazole derivatives useful as modulators of nicotinic acetylcholine receptors NEUROSEARCH A/S (DK) 2012-02-07 US disclosed
US-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-09-02 US disclosed
EP-2185529-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch AS (DK) 2010-05-19 EP disclosed
WO-2009019278-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-02-12 WO 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-20100222398-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNB3, CHRNA5 POLB 4113/4885IDO1 1025/4885TDO2 2449/4885

“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.