SCHEMBL5778854

SCHEMBL5778854

COc1cc(F)c(C#N)c(C2CCOCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.33
PDE2A O00408 1/20 0.32
RPS6KA3 P51812 1/20 0.32
PDE9A O76083 1/20 0.32
GCK P35557 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
IKBKB O14920 1/20 0.31
VEGFA P15692 1/20 0.31
HTR6 P50406 1/20 0.31
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 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
SCHEMBL5775046 0.90 TRPV4 (0.35) ALDH1A1HPGDKDM4EHSD17B10TAAR1
SCHEMBL5773407 0.87 IKBKB (0.36) ALDH1A1TAAR1TRPV4IKBKBVEGFA
SCHEMBL5776290 0.86 PTGDR2 (0.39) ALDH1A1TAAR1TRPV4IKBKBVEGFA
SCHEMBL5772540 0.83 MAPKAPK2 (0.39) GCKNSD2ALDH1A1HPGDKDM4E
SCHEMBL186585 0.75 TRPV4 (0.52) ALDH1A1HPGDKDM4ETAAR1TRPV4
SCHEMBL5774974 0.74 EGFR (0.44)
SCHEMBL5778419 0.72 MAPKAPK2 (0.40) ALDH1A1HPGDKDM4EHSD17B10IKBKB
SCHEMBL5774696 0.70 IKBKB (0.41) ALDH1A1HPGDKDM4EHSD17B10IKBKB
SCHEMBL12896544 0.69 TLR9 (0.41) ALDH1A1KDM4E
SCHEMBL5776551 0.69 IKBKB (0.40) ALDH1A1HPGDKDM4EHSD17B10IKBKB

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 5 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
EP-1483257-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2004-12-08 EP disclosed
US-20040029859-A1 Compounds useful in therapy PFIZER INC. 2004-02-12 US disclosed
WO-2003076427-A1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2003-09-18 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 (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 CSF1R 1687/4885PDE2A 730/4885RPS6KA3 1372/4885

“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.