SCHEMBL5776006

SCHEMBL5776006

COc1cc(N)c(C#N)c(C2CCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.40
MAPKAPK2 P49137 4/20 0.38
HPGD P15428 4/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
IKBKB O14920 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL5774696 0.79 IKBKB (0.41) MAPKAPK2HPGDALDH1A1KDM4EGAA
SCHEMBL5778419 0.79 MAPKAPK2 (0.40) MAPKAPK2HPGDKMT2ATP53HTT
SCHEMBL5772540 0.78 MAPKAPK2 (0.39) MAPKAPK2HPGDKMT2ATP53HTT
SCHEMBL5776551 0.78 IKBKB (0.40) MAPKAPK2HPGDKMT2AALDH1A1KDM4E
SCHEMBL6948732 0.69 ALDH1A1 (0.36) MAPKAPK2HPGDTP53HTTALDH1A1
SCHEMBL15647191 0.67 ALDH1A1 (0.46) MAPKAPK2HPGDKMT2AALDH1A1KDM4E
SCHEMBL2798485 0.66 TAAR1 (0.43) MAPKAPK2HPGDKMT2ATP53HTT
SCHEMBL27784460 0.65 PTGES2 (0.32) CFTRMAPKAPK2
Ammonia Solution, Strong SCHEMBL28458763 0.64 TAAR1 (0.42) MAPKAPK2HPGDKMT2ATP53HTT
SCHEMBL19652158 0.64 GRM5 (0.38) CFTRHPGDTP53ALDH1A1SMN1; SMN2

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 CFTR 890/4885MAPKAPK2 4313/4885HPGD 107/4885

“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.