SCHEMBL940224

SCHEMBL940224

Clc1ccnc(CN2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PDE8A O60658 1/20 0.43
METAP2 P50579 1/20 0.43
NPC1 O15118 1/20 0.43
APP P05067 1/20 0.42
BACE1 P56817 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12912973 0.93 KDM5C (0.45) CXCR4HRH3KDM5CKDM4CPDE8A
SCHEMBL12782242 0.85 ALDH1A1 (0.49) CXCR4KDM4EALDH1A1KDM5CKDM4C
SCHEMBL12912971 0.85 ALDH1A1 (0.49) CXCR4KDM4EALDH1A1KDM5CKDM4C
SCHEMBL5117431 0.85 CYP2A13 (0.54) CXCR4KDM4EMAPTHRH3METAP2
SCHEMBL1722737 0.82 CXCR4 (0.50) CXCR4KDM4EMAPTHRH3KDM5C
SCHEMBL25783321 0.80 HRH3 (0.54) HRH3SMN1; SMN2
SCHEMBL22492207 0.80 KDM5C (0.49) KDM4EALDH1A1MAPTKDM5CKDM4C
Hydrochloric Acid SCHEMBL28331933 0.79 CXCR4 (0.55) CXCR4KDM4EALDH1A1HRH3KDM5C
SCHEMBL3257025 0.79 CXCR4 (0.50) CXCR4KDM4EALDH1A1HRH3KDM5C
SCHEMBL14896745 0.79 CXCR4 (0.50) CXCR4KDM4EALDH1A1HRH3KDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
EP-2475657-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES Gilead Sciences, Inc. (US) 2012-07-18 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 US disclosed
WO-2011011303-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CXCR4 2800/4885KDM4E 1933/4885ALDH1A1 462/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CXCR4 2800/4885KDM4E 1933/4885ALDH1A1 462/4885

“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.