SCHEMBL548339

SCHEMBL548339

COc1ccc(-c2nnn(-c3ccc(F)cc3Cl)c2N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
SRC P12931 1/20 0.44
BRAF P15056 1/20 0.44
KDR P35968 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
CNR1 P21554 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
TP53 P04637 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 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
SCHEMBL548231 0.88 POLB (0.69) POLBMAPTSMN1; SMN2LMNACNR1
SCHEMBL548181 0.85 POLB (0.59) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL549096 0.80 POLB (0.55) POLBSRCBRAFKDRMAPT
SCHEMBL549105 0.76 POLB (0.54) POLBSRCBRAFKDRMAPT
SCHEMBL549133 0.76 POLB (0.67) POLBSRCBRAFKDRMAPT
SCHEMBL548302 0.75 POLB (0.69) POLBSRCBRAFKDRMAPT
SCHEMBL2260964 0.74 POLB (0.44) POLBSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL549116 0.74 POLB (0.54) POLBMAPTRAB9AGABRA2GABRB2
SCHEMBL1551144 0.73 RAB9A (0.45) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL549169 0.72 POLB (0.51) POLBSRCBRAFKDRMAPT

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-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

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 4113/4885SRC 2772/4885BRAF 3148/4885

“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.