SCHEMBL4415031

SCHEMBL4415031

CC(C)(C)n1nnc(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
AOC3 Q16853 2/20 0.46
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 3/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
Propionic Acid SCHEMBL10593320 0.87 POLB (0.64) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL4617609 0.84 SMN1; SMN2 (0.56) SMN1; SMN2POLBRAB9AL3MBTL1NPC1
SCHEMBL9078674 0.83 AOC3 (0.48) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL6601841 0.81 AOC3 (0.47) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL6507597 0.81 SMN1; SMN2 (0.57) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL4638106 0.81 AOC3 (0.44) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL9079266 0.81 AOC3 (0.47) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL22231486 0.81 AOC3 (0.47) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL20714306 0.81 AOC3 (0.50) SMN1; SMN2POLBRAB9AL3MBTL1AOC3
SCHEMBL6601376 0.81 AOC3 (0.50) SMN1; SMN2POLBRAB9AL3MBTL1AOC3

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593332-B1 Phenylborinic acid derivatives, their preparation and their use as intermediates in syntheses SYNTHELABO (FR) 1998-01-14 EP claimed
US-5382672-A Preparation of derivatives of benzeneborinic acid SYNTHELABO (FR) 1995-01-17 US claimed
EP-0593332-A1 Phenylboronic acid derivatives, their preparation and their use as intermediates in syntheses SYNTHELABO (FR) 1994-04-20 EP claimed
JP-6192240-A None JP disclosed
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-10 US disclosed
US-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-01-24 US disclosed
CN-104395326-B Process for producing borinic acid derivative and novel borinic acid derivative 玛耐科股份有限公司 2017-04-05 CN disclosed
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 US disclosed
CN-104395326-A Process for producing borinic acid derivative and novel borinic acid derivative MANAC INC 2015-03-04 CN disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-5476941-A 2-[2-(5-tetrazolyl)phenyl]-1,2-dihydroquinoline derivatives SYNTHELABO (FR) 1995-12-19 US disclosed
EP-0655452-A1 Triarylborane derivatives, their preparation and their use as intermediates SYNTHELABO (FR) 1995-05-31 EP disclosed
US-5405960-A Triarylborane derivatives, their preparation and their use as synthesis intermediates SYNTHELABO (FR) 1995-04-11 US disclosed
EP-0646581-A1 2-(2-Tetrazol-5-yl)phenyl)-1,2-dihydroquinoline derivatives and their use as intermediates SYNTHELABO (FR) 1995-04-05 EP disclosed
US-5382672-A Preparation of derivatives of benzeneborinic acid SYNTHELABO (FR) 1995-01-17 US disclosed
US-5374735-A Triarylborane derivatives, their preparation and their use as synthesis intermediates SYNTHELABO (FR) 1994-12-20 US disclosed
JP-H06192240-A BENZENEBORINIC ACID DERIVATIVE, PREPARATION THEREOF AND USE THEREOF AS SYNTHETIC INTERMEDIATE SYNTHELABO SA 1994-07-12 JP disclosed
EP-0593332-A1 Phenylboronic acid derivatives, their preparation and their use as intermediates in syntheses SYNTHELABO (FR) 1994-04-20 EP disclosed
US-5278312-A Derivatives of benzeneborinic acid, preparation thereof and use thereof as synthetic intermediates SYNTHELABO (FR) 1994-01-11 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 (3 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-20190023701-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 SMN1; SMN2 4661/4885POLB 1095/4885RAB9A 3993/4885
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B SMN1; SMN2 1879/4885POLB 1316/4885RAB9A 902/4885
US-10407422-B2 Triazolopyridine inhibitors of myeloperoxidase EPX, MPO, SERPINB1 SMN1; SMN2 4661/4885POLB 1095/4885RAB9A 3993/4885

“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.