SCHEMBL1706547

SCHEMBL1706547

CC(C)c1cc(Cl)nc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ESR1 P03372 1/20 0.36
NFKB1 P19838 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
ALOX15 P16050 1/20 0.32
KDM5B Q9UGL1 1/20 0.31
IGF1R P08069 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
SCHEMBL28418528 0.82 ESR1 (0.34) ESR1GAATDP1
SCHEMBL3804897 0.79 NOS3 (0.42) NOS3NOS1NOS2LMNAMEN1
SCHEMBL10167708 0.79 NOS3 (0.38) NOS3NOS1NOS2LMNAMEN1
SCHEMBL807733 0.79 KMT2A (0.47) NOS3NOS1NOS2ESR1NFKB1
SCHEMBL9345488 0.78 ALDH1A1 (0.33) ALDH1A1TSHRALOX15
SCHEMBL1706050 0.77 NOS2 (0.55) NOS3NOS1NOS2ESR1NFKB1
SCHEMBL760321 0.77 HRH3 (0.46) NOS3NOS1NOS2LMNAKMT2A
SCHEMBL19024340 0.76 ADORA2A (0.37) ALDH1A1TSHRALOX15
SCHEMBL15077328 0.76 NOS3 (0.39) NOS3NOS1NOS2LMNAMEN1
SCHEMBL15980614 0.74 NOS3 (0.57) NOS3NOS1NOS2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025137146-A1 SUBSTITUTED HETEROARYL ANALOGS AND USES THEREOF FOR THE TREATMENT OF HIV-ASSOCIATED NEUROCOGNITIVE DISORDERS MOUKHA CHAFIQ OMAR (US) 2025-06-26 WO disclosed
WO-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US disclosed
WO-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO disclosed
CN-111655688-B Substituted pyrrolopyridines as ATR inhibitors 蓝谷制药有限责任公司 2023-09-29 CN disclosed
US-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS GREENGENE BIOSCIENCES INC. 2022-07-21 US disclosed
EP-3679041-B1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS NEWAVE PHARMACEUTICAL INC (US) 2022-07-06 EP disclosed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 WO disclosed
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors BLUEVALLEY PHARMACEUTICAL LLC (US) 2022-02-01 US disclosed
EP-3283472-B1 HEPATITIS B VIRAL ASSEMBLY EFFECTORS UNIV INDIANA RES & TECH CORP (US) 2021-04-14 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010142752-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US disclosed
US-4016013-A OR CARBONITRIDESDECOMPOSITION OF TRIAZINE OR PYRIMIDINE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-04-05 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 NOS3 900/4885NOS1 894/4885NOS2 1070/4885
US-20220227755-A1 SUBSTITUTED PYRROLOPYRIDINES AS ATR INHIBITORS ATR, RB1, ATRIP NOS3 2943/4885NOS1 2762/4885NOS2 3254/4885
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B NOS3 46/4885NOS1 62/4885NOS2 71/4885
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP NOS3 3412/4885NOS1 3437/4885NOS2 3867/4885
US-20080207903-A1 Chemical Process CYP2C9, CYP2B6, CYP7A1 NOS3 2576/4885NOS1 1678/4885NOS2 1504/4885
US-11236089-B2 Substituted pyrrolopyridines as ATR inhibitors ATR, RB1, ATRIP NOS3 2943/4885NOS1 2762/4885NOS2 3254/4885

“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.