SCHEMBL2918593

SCHEMBL2918593

Clc1ccc2c(N3CCNCC3)ncnc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.67
CYP2D6 P10635 4/20 0.67
ADRB2 P07550 1/20 0.62
NCF1 P14598 1/20 0.62
HTT P42858 2/20 0.58
CYP3A4 P08684 8/20 0.55
CYP2C19 P33261 5/20 0.55
CLK4 Q9HAZ1 5/20 0.55
LMNA P02545 2/20 0.55
HTR2C P28335 4/20 0.55
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
PDGFRB P09619 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
USP2 O75604 2/20 0.50
HSD17B10 Q99714 2/20 0.50

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
SCHEMBL2923518 0.88 HTT (0.70) CYP1A2CYP2D6ADRB2NCF1HTT
SCHEMBL2565138 0.86 CYP1A2 (0.72) CYP1A2CYP2D6HTTLMNAPDGFRB
SCHEMBL2921599 0.82 HTT (0.58) CYP1A2CYP2D6HTTCYP3A4CYP2C19
SCHEMBL28638711 0.82 CYP1A2 (0.67) CYP1A2CYP2D6HTTCYP3A4CYP2C19
SCHEMBL16647149 0.80 CYP1A2 (0.63) CYP1A2CYP2D6ADRB2NCF1HTT
SCHEMBL4017238 0.80 CYP1A2 (0.76) CYP1A2CYP2D6HTTLMNAPDGFRB
SCHEMBL3769963 0.80 PRKDC (0.71) CYP1A2CYP2D6HTTCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL2568421 0.79 PRKDC (0.70) CYP1A2CYP2D6HTTCYP3A4CYP2C19
SCHEMBL29936658 0.78 PTK2 (0.67) CYP1A2CYP2D6ADRB2NCF1HTT
SCHEMBL1029331 0.78 PTK2 (0.67) CYP1A2CYP2D6ADRB2NCF1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882717-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
CN-1169795-C Nitrogenous heterocyclic compounds Э�ͷ��͹�ҵ��ʽ���� 2004-10-06 CN disclosed
US-6750218-B2 INHIBITORY ACTIVITY ON PHOSPHORYLATION OF PLATELET-DERIVED GROWTH FACTOR (PDGF) RECEPTOR USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS MILLENNIUMIUM PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030229077-A1 Nitrogen-containing heterocyclic compounds MATSUNO KENJI (JP) 2003-12-11 US disclosed
US-6472391-B2 INHIBIT PHOSPHORYLATION OF PDGF RECEPTOR TO HINDER ABNORMAL CELL GROWTH AND CELL WANDERING; TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS. MILLENNIUM PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020068734-A1 Nitrogen-containing heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
CN-1208404-A Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO KK (JP) 1999-02-17 CN disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 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 (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-20030229077-A1 Nitrogen-containing heterocyclic compounds ERBB4, NPR1, PDGFRB CYP1A2 4038/4885CYP2D6 2953/4885ADRB2 1424/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA CYP1A2 4026/4885CYP2D6 2507/4885ADRB2 1397/4885

“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.