SCHEMBL2233776

SCHEMBL2233776

C#Cc1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.57
HTR3E A5X5Y0 4/20 0.57
HTR3B O95264 4/20 0.57
HTR3A P46098 4/20 0.57
HTR3D Q70Z44 4/20 0.57
HTR3C Q8WXA8 4/20 0.57
SIGMAR1 Q99720 4/20 0.57
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
PLD1 Q13393 1/20 0.52
AKR1C3 P42330 1/20 0.49
LTA4H P09960 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
SIRT6 Q8N6T7 1/20 0.49
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 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
SCHEMBL5570604 0.82 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D
Tert-Butyl Formate SCHEMBL27908683 0.82 ADRB1 (0.44) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6956744 0.82 KDM4E (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL231077 0.82 KDM4E (0.63) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL578312 0.81 AKR1C3 (0.53) AKR1C3ALDH1A1KDM4ELMNAUSP2
SCHEMBL28704374 0.81 AKR1C3 (0.53) AKR1C3ALDH1A1KDM4ELMNADRD2
Hydrochloric Acid SCHEMBL23303443 0.80 KDM4E (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15817965 0.80 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL376202 0.80 KDM4E (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14661682 0.80 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051640-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF BACTERIAL INFECTIONS CAUSED BY GRAM-POSITIVE BACTERIA LightOx Limited (GB) 2025-03-13 WO disclosed
US-8912200-B2 Alkynyl substituted pyrimidinyl-pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-16 US disclosed
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-10 US disclosed
EP-2736514-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-06-04 EP disclosed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2556071-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2013-02-13 EP disclosed
WO-2013014039-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-31 WO disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 WO disclosed
US-4720567-A Novel diacetylenic and polydiacetylenic compositions HOECHST CELANESE CORPORATION (US) 1988-01-19 US disclosed
US-4711532-A Novel diacetylenic and polydiacetylenic compositions HOECHST CELANESE CORPORATION (US) 1987-12-08 US disclosed
EP-0243807-A2 Novel diacetylenic and polydiacetylenic compositions CELANESE CORPORATION (US) 1987-11-04 EP disclosed
US-4703096-A Novel diacetylenic and polydiacetylenic compositions CELANESE CORPORATION (US) 1987-10-27 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 (2 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-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS JAK2, JAK1, SRC ADRB1 3748/4885HTR3E 2173/4885HTR3B 3038/4885
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 ADRB1 578/4885HTR3E 1895/4885HTR3B 1334/4885

“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.