SCHEMBL972817

SCHEMBL972817

C1=C(c2ccccc2)NNC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALOX15 P16050 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
HTR6 P50406 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
CFTR P13569 1/20 0.30
GOPC Q9HD26 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PLA2G10 O15496 1/20 0.30
GAA P10253 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Pyridine SCHEMBL28290649 0.90 NOTUM (0.41) SIGMAR1HTR2CALDH1A1HPGDMEN1
SCHEMBL15506531 0.84 MEN1 (0.39) MEN1KMT2AHTR1AHTR7NISCH
SCHEMBL27604816 0.76 NISCH (0.41) NISCH
SCHEMBL10230468 0.66 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2AALOX15
Biphenyl SCHEMBL2101341 0.62 ALDH1A1 (0.90) ALDH1A1HSD17B10
SCHEMBL7541231 0.62
Biphenyl SCHEMBL1358618 0.58 ALDH1A1 (1.00) ALDH1A1HSD17B10
Biphenyl SCHEMBL28890607 0.58 ALDH1A1 (1.00) ALDH1A1HSD17B10
Biphenyl SCHEMBL2548048 0.58 ALDH1A1 (1.00) ALDH1A1HSD17B10
Biphenyl SCHEMBL164 0.58 ALDH1A1 (1.00) ALDH1A1HSD17B10

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
CN-105308026-B Cyclic azine compound, manufacturing method with adamantyl and using the compound as the organic electroluminescent device of constituent 东曹株式会社 2018-12-21 CN disclosed
US-8664195-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2014-03-04 US disclosed
WO-2014014310-A1 A NOVEL COMBINATION OF A HOST COMPOUND AND A DOPANT COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2014-01-23 WO disclosed
US-8610998-B2 Coloured organic electrophoretic particles BASF SE (DE) 2013-12-17 US disclosed
CN-101484537-B Coloured organic electrophoretic particles CIBA HOLDING INC 2013-07-17 CN disclosed
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2012-04-19 US disclosed
US-8080536-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2011-01-13 US disclosed
US-7816345-B2 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2010-10-19 US disclosed
CN-101484537-A Coloured organic electrophoretic particles CIBA HOLDING INC (CH) 2009-07-15 CN disclosed
EP-1634886-A2 Novel phosphorus-containing prodrug Metabasis Therapeutics, Inc. (US) 2006-03-15 EP disclosed
US-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-05-12 US disclosed
US-6831083-B2 For therapy and prophylaxis of cerebral ischemia (cerebral infarct and brain edema), sequela of cerebral ischemia, cephalotrauma, glaucoma, retinopathy, epilepsy and amyotrophic lateral sclerosis (ALS), all caused by glutamic acid toxicity MITSUI CHEMICALS, INC. (JP) 2004-12-14 US disclosed
US-6752981-B1 CYCLIC PHOSPH(ORAMID)ATE PRODRUGS HAVING ALCOHOL, AMINE, ORTHIOL GROUPS ATTACHED TO THE PHOSPHORUS IN THE C3N2P OR C3O2P RING METABASIS THERAPEUTICS, INC. 2004-06-22 US disclosed
US-20030149046-A1 Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-08-07 US disclosed
EP-1270567-A1 PYRAZOLINE DERIVATIVES OR TETRAHYDROPYRIDAZINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-02 EP disclosed
EP-1210354-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY Metabasis Therapeutics, Inc. (US) 2002-06-05 EP disclosed
EP-1165570-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS Metabasis Therapeutics, Inc. (US) 2002-01-02 EP disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 WO disclosed
WO-2000052015-A2 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS, INC. (US) 2000-09-08 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 (4 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-20030149046-A1 Pyrazoline derivative or tetrahydropyridazine derivative and medicinal use thereof SLC1A2, SLC1A1, SLC1A3 SIGMAR1 3128/4885HTR2C 2262/4885ALDH1A1 330/4885
US-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging PYGL, PHOSPHO1, OAT SIGMAR1 819/4885HTR2C 3727/4885ALDH1A1 294/4885
US-20110009356-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 SIGMAR1 689/4885HTR2C 4337/4885ALDH1A1 2369/4885
US-20120093729-A1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS PYGL, ALPI, SLC10A1 SIGMAR1 689/4885HTR2C 4337/4885ALDH1A1 2369/4885

“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.