SCHEMBL2920098

SCHEMBL2920098

Clc1cc(Cl)c2ncnc(N3CCNCC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.52
CYP3A4 P08684 6/20 0.52
CYP2C19 P33261 4/20 0.52
CLK4 Q9HAZ1 3/20 0.52
LMNA P02545 3/20 0.52
HRH4 Q9H3N8 3/20 0.49
HTR2C P28335 5/20 0.48
HTT P42858 2/20 0.48
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRB1 P08588 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP2D6 P10635 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7961206 0.80 LMNA (0.40) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL2923601 0.79 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL19695809 0.79 HTT (0.51) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL19695793 0.77 HTT (0.49) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL2923518 0.77 HTT (0.70) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL2918593 0.73 CYP1A2 (0.67) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL23415461 0.73 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL29889020 0.73 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL19695810 0.73 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CLK4LMNA
SCHEMBL2920637 0.72 PDE5A (0.52) CYP1A2CYP3A4CYP2C19CLK4LMNA

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 8 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
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
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 4038/4885CYP3A4 3431/4885CYP2C19 3382/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA CYP1A2 4026/4885CYP3A4 3701/4885CYP2C19 3290/4885

“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.