SCHEMBL2336670

SCHEMBL2336670

CCC(Br)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
KCNH2 Q12809 1/20 0.52
LMNA P02545 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MDM2 Q00987 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 2/20 0.46
CES1 P23141 4/20 0.45
CES2 O00748 3/20 0.45
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL11225115 0.89 SMN1; SMN2 (0.55) LMNAHSD17B10L3MBTL1ALDH1A1RAB9A
SCHEMBL28958140 0.84 HPGD (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2823791 0.84 SLC6A2 (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4935875 0.84 SLC6A2 (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL12600893 0.83 HDAC8 (0.51) TDP1RAB9AMAPK1NPC1SLC6A3
SCHEMBL3033043 0.82 SLC6A2 (0.47) LMNACES1CES2RAB9AMAPT
SCHEMBL3110619 0.82 GSK3B (0.48) ADRA2BLMNATDP1ALDH1A1CES1
SCHEMBL648332 0.81 CES2 (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10858699 0.81 PGR (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL7878318 0.80 HTT (0.51) LMNAL3MBTL1ALDH1A1CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2004-02-26 US claimed
EP-1150961-B1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2003-10-22 EP claimed
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 2002-12-12 US claimed
CN-1346349-A Pyrazoelcarboxylic acid derivatives, their preparation, pharmaceutical compositions containing SANOFI SYNTHELABO (FR) 2002-04-24 CN claimed
EP-1150961-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-11-07 EP claimed
WO-2000046209-A1 PYRAZOLECARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2000-08-10 WO claimed
JP-63174971-A None JP disclosed
US-11919908-B2 Substituted pyrrolo[2,3-d]pyrimidine compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2024-03-05 US disclosed
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
WO-2022140231-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS INCYTE CORPORATION (US) 2022-06-30 WO disclosed
US-10961255-B2 Imidazoles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2021-03-30 US disclosed
US-20200299303-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-09-24 US disclosed
US-10562914-B2 Imidazoles as histone demethylase inhibitors ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2020-02-18 US disclosed
EP-0151094-A2 Pharmacologically active imidazopyridine compounds RBS PHARMA (ROGER BELLON SCHOUM) S.p.A. (IT) 1985-08-07 EP disclosed
EP-0005783-B1 IMIDAZO (2.1-B)-(1.3.4)-THIADIAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1981-12-30 EP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
EP-0019796-A1 Propionic acid esters, preparation of these compounds, herbicides containing these compounds as active substances, and the use of such compounds and agents for combating weeds F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-12-10 EP disclosed
EP-0005783-A1 Imidazo (2.1-b)-(1.3.4)-thiadiazoles, process for their preparation and their use in medicaments BAYER AG (DE) 1979-12-12 EP disclosed
US-3976695-A Halogen substituted α-(aminoalkyl)-3,4-dihydroxybenzyl alcohols SMITHKLINE CORPORATION (US) 1976-08-24 US disclosed
US-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 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 (7 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-11919908-B2 Substituted pyrrolo[2,3-d]pyrimidine compounds as JAK2 V617F inhibitors JAK2, JAK3, JAK1 PGR 1293/4885ADRA2A 4316/4885ADRA2B 4216/4885
US-20220213108-A1 DEAZAGUAINE COMPOUNDS AS JAK2 V617F INHIBITORS JAK2, JAK1, VHL PGR 2322/4885ADRA2A 4321/4885ADRA2B 4274/4885
US-20040039024-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 PGR 2074/4885ADRA2A 152/4885ADRA2B 126/4885
US-20200299303-A1 IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A PGR 2441/4885ADRA2A 967/4885ADRA2B 1052/4885
US-10562914-B2 Imidazoles as histone demethylase inhibitors KDM1B, KDM1A, DOT1L PGR 2355/4885ADRA2A 856/4885ADRA2B 817/4885
US-20020188007-A1 Pyrazolecarboxylic acid derivatives, their preparation and pharmaceutical compositions containing them CNR1, CNR2, P2RY1 PGR 2074/4885ADRA2A 152/4885ADRA2B 126/4885
US-10961255-B2 Imidazoles as histone demethylase inhibitors DOT1L, KDM1B, KDM1A PGR 2441/4885ADRA2A 967/4885ADRA2B 1052/4885

“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.