SCHEMBL114582

SCHEMBL114582

Cc1ccc(B(O)O)c(F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 1/20 0.37
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
METAP2 P50579 1/20 0.32
CASP6 P55212 1/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL29652865 1.00 RAB9A (0.37) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL426850 0.79
Water SCHEMBL29954949 0.77
SCHEMBL29952049 0.77
Water SCHEMBL1669028 0.77
SCHEMBL30788696 0.76 CCR1 (0.40) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL489376 0.76 CCR1 (0.40) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL29953898 0.76 BACE1 (0.39) RAB9AKDM4ELMNANPC1TP53
SCHEMBL29957469 0.76 ENPP2 (0.30)
SCHEMBL13725857 0.76 ENPP2 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260047267-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2026-02-12 US disclosed
US-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators Bial—R&D Investments, S.A. (PT) 2024-10-15 US disclosed
CN-118359538-A Isoquinoline compound, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-07-19 CN disclosed
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. 2023-03-30 US disclosed
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
US-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-12-20 US disclosed
CN-109311887-B Pyrazolo [1,5-a ] pyrimidinecarboxamide compounds and their use in the treatment of medical conditions BIAL研发投资股份有限公司 2022-09-13 CN disclosed
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
CN-110204544-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2022-04-12 CN disclosed
US-20220098477-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY UDC IRELAND LIMITED (IE) 2022-03-31 US disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 WO disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
US-20080076924-A1 Piperazines as P2X7 antagonists ABBOTT LABORATORIES 2008-03-27 US disclosed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO disclosed
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione GLAXO GROUP LIMITED (GB) 2007-10-25 US disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007073283-A1 SUBSTITUTED CINNOLINE DERIVATIVES AS GABAA-RECEPTOR MODULATORS AND METHOD FOR THEIR SYNTHESIS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
US-20070142382-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20070142328-A1 Compounds and Uses Thereof ASTRAZENECA AB (SE) 2007-06-21 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (10 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-12116369-B2 Substituted pyrazolo[1,5-a]pyrimidines as glucocerebrosidase activators GBA1, GALC, GBA3 RAB9A 806/4885CCR1 3463/4885CCR5 2120/4885
US-20070142328-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB RAB9A 1318/4885CCR1 4575/4885CCR5 4750/4885
US-20230098494-A1 PYRAZOLO[1,5-a]PYRIMIDINYL CARBOXAMIDE COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, PARK7 RAB9A 1599/4885CCR1 3077/4885CCR5 1784/4885
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A RAB9A 4301/4885CCR1 2838/4885CCR5 4180/4885
US-20070142382-A1 Compounds and Uses Thereof MAPT, BDNF, PYGB RAB9A 1318/4885CCR1 4575/4885CCR5 4750/4885
US-11529356-B2 2-(morpholin-4-yl)-1,7-naphthyridines POLQ, CCND2, NRAS RAB9A 1025/4885CCR1 4302/4885CCR5 3363/4885
US-20220098477-A1 MONONUCLEAR IRIDIUM COMPLEXES CONTAINING THREE ORTHO-METALLATED BIDENTATE LIGANDS AND OPTICAL ORIENTATING ANISTROPHY ICOSLG, CCL11, CCR3 RAB9A 2207/4885CCR1 33/4885CCR5 18/4885
US-20070249642-A1 Azabicyclo[3.1.0]hex-3-yl}alkyl)pyrimidinedione AZI2, NT5C3B, CYP1B1 RAB9A 715/4885CCR1 1890/4885CCR5 334/4885
US-20080076924-A1 Piperazines as P2X7 antagonists P2RX7, P2RX1, P2RX2 RAB9A 3303/4885CCR1 932/4885CCR5 458/4885
US-20260047267-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, OXER1, NPY1R RAB9A 1020/4885CCR1 85/4885CCR5 121/4885

“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.