SCHEMBL890385

SCHEMBL890385

O=c1cc(CCl)nc2ccccn12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
GRIN1 Q05586 1/20 0.54
GRIN2A Q12879 1/20 0.54
KDM4E B2RXH2 4/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
GRM5 P41594 2/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
METTL3 Q86U44 1/20 0.49
PRKDC P78527 1/20 0.48
HSD17B10 Q99714 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL30132372 0.85 PKM (0.57) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL13151057 0.83 PKM (0.56) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL12442815 0.81 KDM4E (0.51) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL2905401 0.81 PKM (0.53) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL21457878 0.81 KDM4E (0.59) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL26853240 0.80 PKM (0.52) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL3963522 0.78 MAPT (0.56) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL29143358 0.78 PKM (0.54) PKMGRIN1GRIN2AKDM4EADORA3
SCHEMBL23725727 0.78 KDM4E (0.43) PKMGRIN1GRIN2AKDM4EMETTL3
SCHEMBL17295035 0.78 KDM4E (0.64) PKMKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling CONFO THERAPEUTICS N.V. (BE) 2024-11-07 US disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
EP-4377307-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING Confo Therapeutics N.V. (BE) 2024-06-05 EP disclosed
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed
CN-109942540-B 1, 4-pentadiene-3-ketone derivative containing thiophene sulfonate, preparation method and application thereof 贵州大学 2021-06-18 CN disclosed
US-9034872-B2 Heterocyclic compounds and uses thereof in the treatment of sexual disorders ATIR HOLDING S.A. (LU) 2015-05-19 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-8754089-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-06-17 US disclosed
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S.A. 2014-04-17 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 WO disclosed
US-4634690-A NEMATOCIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1987-01-06 US disclosed
EP-0081945-B1 SUBSTITUTED PYRIMIDINYL ORGANOPHOSPHORUS COMPOUNDS, COMPOSITIONS THEREOF AND METHODS OF CONTROLLING PESTS UNIROYAL, INC. (US) 1986-09-03 EP disclosed
EP-0156121-A2 Substituted pyrimidinyl organophosphorus compounds, compositions thereof, methods of controlling pests and intermediates in the preparation of the compounds UNIROYAL, INC. (US) 1985-10-02 EP disclosed
US-4472389-A Substituted pyrimidinyl organophosphorus insecticides UNIROYAL, INC. (US) 1984-09-18 US disclosed
EP-0091700-A2 Substituted pyrimidinyl organophosphorus compounds, compositions thereof, and methods of controlling pests UNIROYAL, INC. (US) 1983-10-19 EP disclosed
US-4395551-A CHEMICAL INTERMEDIATES FOR ORGANOPHOSPHORUS INSECTICIDES UNIROYAL, INC. (US) 1983-07-26 US disclosed
EP-0081945-A2 Substituted pyrimidinyl organophosphorus compounds, compositions thereof and methods of controlling pests UNIROYAL, INC. (US) 1983-06-22 EP 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 PKM 4251/4885GRIN1 2219/4885GRIN2A 3490/4885
US-20240368133-A1 Compounds for the Treatment of Pain, in Particular, Neuropathic Pain, and/or Other Diseases or Disorders that are Associated with AT2R and/or AT2R Mediated Signaling AGTR2, AGTR1, OPRL1 PKM 1694/4885GRIN1 285/4885GRIN2A 160/4885
US-20140107128-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS PDE5A, PDE3B, PDE3A PKM 368/4885GRIN1 1334/4885GRIN2A 1002/4885

“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.