SCHEMBL12583713

SCHEMBL12583713

COc1ccccc1-c1cccc(-c2cc(N)nc(N)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.56
▸ HSP90AB1 P08238 3/20 0.55
▸ DHFR P00374 1/20 0.53
▸ DYRK1A Q13627 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALOX5AP P20292 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ ADORA2A P29274 4/20 0.46
▸ ADORA1 P30542 3/20 0.46
▸ HTR7 P34969 2/20 0.45
▸ MAP4K4 O95819 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL12642514 0.83 SCN9A (0.58) ALOX5APFEN1
SCHEMBL29629017 0.78 HTR7 (0.64) ALDH1A1HTR7GAA
SCHEMBL26556078 0.78 HTR7 (0.64) ALDH1A1HTR7GAA
SCHEMBL31295947 0.78 DYRK1A (0.69) DYRK1AALDH1A1NPC1RAB9AADORA2A
SCHEMBL3952084 0.77 HSP90AA1 (0.71) HSP90AA1HSP90AB1DYRK1AALDH1A1NPC1
SCHEMBL7711745 0.77 HSD17B10 (0.54) HSP90AA1HSP90AB1DHFRALDH1A1ALOX5AP
SCHEMBL1388381 0.76 DYRK1A (0.66) DHFRDYRK1AALDH1A1NPC1RAB9A
SCHEMBL27702335 0.76 BACE1 (0.49) DHFRALOX5APFEN1ADORA1MAP4K4
SCHEMBL1039794 0.74 HTR7 (0.55) DHFRALDH1A1ALOX5APFEN1HTR7
SCHEMBL11645510 0.73 ADORA2A (0.79) HSP90AA1HSP90AB1DYRK1AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738710-B2 Method of treating a patient for pain by administering an anti-ion channel antibody UCB BIOPHARMA SPRL (BE) 2017-08-22 — — US disclosed
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2016-08-04 — — US disclosed
US-9266953-B2 Methods of treating pain using function modifying NAv1.7 antibodies UCB BIOPHARMA SPRL (BE) 2016-02-23 — — US disclosed
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2015-08-20 — — US disclosed
US-20150203571-A1 ANTIBODIES TO ION CHANNELS UCB BIOPHARMA SPRL (BE) 2015-07-23 — — US disclosed
US-8986954-B2 DNA encoding function modifying Nav1.7 antibodies UCB PHARMA S.A. (BE) 2015-03-24 — — US disclosed
US-8926977-B2 Antibodies to the E1 extracellular loop of ion channels UCB PHARMA S.A. (BE) 2015-01-06 — — US disclosed
US-20140342406-A1 DNA ENCODING FUNCTION MODIFYING NAv1.7 ANTIBODIES UCB PHARMA S.A. (BE) 2014-11-20 — — US disclosed
US-8734798-B2 Function modifying NAv 1.7 antibodies UCB PHARMA S.A. (BE) 2014-05-27 — — US disclosed
US-20120259096-A1 ANTIBODIES TO ION CHANNELS UCB PHARMA S.A. (BE) 2012-10-11 — — US disclosed
US-20110135662-A1 FUNCTION MODIFYING NAv 1.7 ANTIBODIES UCB BIOPHARMA SPRL (BE) 2011-06-09 — — 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 (6 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-20120259096-A1 ANTIBODIES TO ION CHANNELS SCN1A, KCNAB1, KCNMA1 HSP90AA1 1729/4885HSP90AB1 1414/4885DHFR 3294/4885
US-20110135662-A1 FUNCTION MODIFYING NAv 1.7 ANTIBODIES SCN7A, SCN1A, SCN5A HSP90AA1 2598/4885HSP90AB1 1918/4885DHFR 4541/4885
US-20150203571-A1 ANTIBODIES TO ION CHANNELS SCN1A, KCNAB1, KCNMA1 HSP90AA1 1729/4885HSP90AB1 1414/4885DHFR 3294/4885
US-20160222107-A1 METHODS OF TREATING PAIN USING FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN3A, SCN1A HSP90AA1 1912/4885HSP90AB1 1324/4885DHFR 3480/4885
US-20150232553-A1 FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN1A, SCN5A HSP90AA1 2425/4885HSP90AB1 1833/4885DHFR 4342/4885
US-20140342406-A1 DNA ENCODING FUNCTION MODIFYING NAv1.7 ANTIBODIES SCN7A, SCN1A, SCN8A HSP90AA1 1733/4885HSP90AB1 1460/4885DHFR 2920/4885

“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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