SCHEMBL549169

SCHEMBL549169

COc1ccc(-n2nnc(-c3ccc(F)cc3F)c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
SRC P12931 1/20 0.45
BRAF P15056 1/20 0.45
KDR P35968 1/20 0.45
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
PMM2 O15305 1/20 0.39
MIF P14174 1/20 0.39
MPI P34949 1/20 0.39
PHOSPHO1 Q8TCT1 1/20 0.39
MAPK14 Q16539 1/20 0.38
PKM P14618 1/20 0.38
AMY1A P0DUB6 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL549096 0.88 POLB (0.55) POLBSMN1; SMN2SRCBRAFKDR
SCHEMBL549179 0.88 POLB (0.58) POLBSMN1; SMN2SRCBRAFKDR
SCHEMBL548171 0.86 POLB (0.47) POLBSMN1; SMN2IDO1TDO2LMNA
SCHEMBL548342 0.78 POLB (0.60) POLBSMN1; SMN2IDO1TDO2LMNA
SCHEMBL548193 0.75 POLB (0.55) POLBSMN1; SMN2IDO1TDO2LMNA
SCHEMBL548302 0.71 POLB (0.69) POLBSMN1; SMN2SRCBRAFKDR
SCHEMBL549146 0.69 MPL (0.40) SMN1; SMN2SRCBRAFKDRIDO1
SCHEMBL28188342 0.69 ALDH1A1 (0.55) POLBSMN1; SMN2LMNAMAPTTP53
SCHEMBL6068558 0.68 CYP2C19 (0.55) SMN1; SMN2LMNAMAPTMAPK14AMY1A
SCHEMBL28699345 0.67 SMN1; SMN2 (0.58) POLBSMN1; SMN2LMNATP53MAPK14

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 7 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
EP-2185529-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NeuroSearch AS (DK) 2010-05-19 EP claimed
WO-2009019278-A1 NOVEL 1,2,3-TRIAZOLE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2009-02-12 WO 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 4113/4885SMN1; SMN2 426/4885SRC 2772/4885

“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.