SCHEMBL3498480

SCHEMBL3498480

CC1Cc2cccnc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ADORA2A P29274 1/20 0.36
CYP2D6 P10635 3/20 0.35
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL13998641 1.00 DRD3 (0.44) DRD3DRD2BRD4CREBBPNPC1
SCHEMBL13998639 1.00 DRD3 (0.44) DRD3DRD2BRD4CREBBPNPC1
SCHEMBL14490658 0.83 DRD3 (0.44) DRD3DRD2ADORA2ACYP2D6TSHR
SCHEMBL8259536 0.83 DRD3 (0.44) DRD3DRD2ADORA2ACYP2D6TSHR
SCHEMBL14490659 0.83 DRD3 (0.44) DRD3DRD2ADORA2ACYP2D6TSHR
SCHEMBL12891737 0.82 DRD2 (0.44) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL8267166 0.82 DRD2 (0.55) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL12891728 0.82 DRD2 (0.55) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL30666578 0.82 DRD2 (0.44) DRD3DRD2RAB9AKDM4EALDH1A1
SCHEMBL12891735 0.82 DRD2 (0.55) DRD3DRD2RAB9AKDM4EALDH1A1

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-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 WO disclosed
US-11911381-B2 Optically active azabicyclo ring derivative Sumitomo Pharma Co., Ltd. (JP) 2024-02-27 US disclosed
EP-4219479-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF Shanghai Meiyue Biotech Development Co., Ltd. (CN) 2023-08-02 EP disclosed
WO-2023104111-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2023-06-15 WO disclosed
US-11369605-B2 Optically active azabicyclo ring derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-28 US disclosed
US-11325921-B2 Optically active crosslinked cyclic secondary amine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-10 US disclosed
WO-2022063197-A1 PYRIMIDINE CARBOXAMIDE COMPOUND AND APPLICATION THEREOF 上海美悦生物科技发展有限公司 2022-03-31 WO disclosed
US-20210338668-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-11-04 US disclosed
US-20210198283-A1 OPTICALLY ACTIVE BRIDGED PIPERIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-01 US disclosed
EP-3835304-A1 OPTICALLY ACTIVE BRIDGED PIPERIDINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2021-06-16 EP disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
US-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI YAMAMORI TERUO 2008-09-11 US disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 EP disclosed
US-7348333-B2 Cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. (FR) 2008-03-25 US disclosed
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists AVENTIS PHARMA S.A. 2008-01-24 US disclosed
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases NOVARTIS AG (CH) 2007-03-22 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
WO-2006004880-A2 SUBSTITUTED N-ARYLSULFONYLHETEROCYCLIC AMINES AS GAMMA-SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-01-12 WO 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 (9 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-20080221112-A1 4-Chloro-N-(4-tolyl)benzamide; to enhance the serum level of apoAI APOL1, PON1, APOB DRD3 1546/4885DRD2 2063/4885BRD4 521/4885
US-11369605-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 DRD3 3698/4885DRD2 3556/4885BRD4 133/4885
US-11911381-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 DRD3 3316/4885DRD2 3082/4885BRD4 117/4885
US-20080021055-A1 Novel cycloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists ADGRF1, ADGRE5, CALCR DRD3 781/4885DRD2 663/4885BRD4 2760/4885
US-20210198283-A1 OPTICALLY ACTIVE BRIDGED PIPERIDINE DERIVATIVE MLLT3, MLLT1, MEN1 DRD3 1047/4885DRD2 1911/4885BRD4 60/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL DRD3 1744/4885DRD2 3101/4885BRD4 2355/4885
US-11325921-B2 Optically active crosslinked cyclic secondary amine derivative MLLT3, MEN1, MLLT1 DRD3 3693/4885DRD2 4157/4885BRD4 92/4885
US-20070066607-A1 Quinoline-2-one derivatives for the treatment of airways diseases ADRB2, ADRA2C, ADRB1 DRD3 1155/4885DRD2 634/4885BRD4 384/4885
US-20210338668-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE MLLT3, MEN1, MLLT1 DRD3 3698/4885DRD2 3556/4885BRD4 133/4885

“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.