SCHEMBL5772992

SCHEMBL5772992

c1nc2c(c(CN3CCCC3)n1)CCNC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CXCR4 P61073 9/20 0.33
PARP1 P09874 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MEN1 O00255 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA2C P18825 1/20 0.30
CCR2 P41597 1/20 0.30
CXCL12 P48061 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5776505 0.99 HRH3 (0.36) HRH3HTR2AHTR2CHTR2BCYP2C19
SCHEMBL5773572 0.82 MAP4K4 (0.36)
SCHEMBL21036376 0.76 CHRM3 (0.33) HTR2AHTR2CHTR2BCHRM2CHRM1
Hydrochloric Acid SCHEMBL21003237 0.75 CHRM3 (0.35) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL21036396 0.74 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL17298716 0.71 KDM4E (0.33) HTR2AHTR2CHTR2BPARP1
SCHEMBL29428699 0.71 KDM4E (0.33) HTR2AHTR2CHTR2BPARP1
SCHEMBL19964203 0.71 HTR2C (0.42) HTR2AHTR2CHTR2B
SCHEMBL21908515 0.70 HTR2C (0.43) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL18010982 0.69 KDM4E (0.32) HTR2AHTR2CHTR2BBLM

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 HRH3 170/4885HTR2A 706/4885HTR2C 296/4885

“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.