SCHEMBL5777070

SCHEMBL5777070

c1nc(CN2CCOCC2)n2c1CNCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.36
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 2/20 0.34
DYRK3 O43781 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
CDK7 P50613 1/20 0.34
CDK5 Q00535 1/20 0.34
CAMK2G Q13555 1/20 0.34
MARK2 Q7KZI7 1/20 0.34
PIM3 Q86V86 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
SGK2 Q9HBY8 1/20 0.34

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
SCHEMBL1996760 0.75 HTR2C (0.36)
SCHEMBL24731148 0.75 HTR2A (0.36)
SCHEMBL21404455 0.75 HTR2A (0.33) ALDH1A1LMNAPIM3KMT2AKDM4E
Hydrochloric Acid SCHEMBL1991346 0.74 HTR2A (0.35) ALDH1A1KDM4E
SCHEMBL2751887 0.74 HRH3 (0.40) CXCR4ALDH1A1HRH3HSD17B10CYP2C9
SCHEMBL29221929 0.73 HTR2A (0.34) KMT2A
SCHEMBL28948293 0.72 HTR2A (0.34)
Hydrochloric Acid SCHEMBL1996092 0.71 HTR2A (0.33) CXCR4
SCHEMBL2002227 0.70 HTR2C (0.39)
SCHEMBL5773600 0.69 NPC1 (0.46) ALDH1A1LMNATHRBL3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed
US-6936619-B2 Cardiovascular disorders; antilipemic agents; sexual disorders PFIZER, INC. (US) 2005-08-30 US disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 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 (1 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-20040029859-A1 Compounds useful in therapy ADRA1D, HSD3B1, PTGER1 CXCR4 756/4885ALDH1A1 1113/4885LMNA 945/4885

“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.