SCHEMBL4157973

SCHEMBL4157973

O=c1nc(N2C=C2)c(-c2ccccc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
LRRK2 Q5S007 5/20 0.35
CDK8 P49336 4/20 0.35
MAP2K1 Q02750 2/20 0.35
CAMK2A Q9UQM7 2/20 0.35
LTK P29376 2/20 0.35
RPS6KA3 P51812 2/20 0.35
MST1R Q04912 2/20 0.35
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
ALK Q9UM73 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35

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
SCHEMBL8987328 0.75 PARP1 (0.48) PARP1CCNE1CDK2ALDH1A1KDM4E
SCHEMBL3485241 0.74 PARP1 (0.47) PARP1CCNE1CDK2ALDH1A1KDM4E
SCHEMBL4915150 0.65 MAPT (0.42) PARP1ALDH1A1MAP2K1NTRK1KIT
SCHEMBL8090609 0.63 CCNE1 (0.47) PARP1CCNE1CDK2ALDH1A1LRRK2
SCHEMBL7392387 0.63 KDM4E (0.46) ALDH1A1KDM4ELMNACDK8CLK4
SCHEMBL10507983 0.61 ALDH1A1 (0.44) ALDH1A1KDM4ECYP1A2L3MBTL1MAPT
SCHEMBL4208272 0.61 PARP1 (1.00) PARP1CDK2ALDH1A1KDM4ECDK8
SCHEMBL6034222 0.60 CHUK (0.51) ALDH1A1KDM4ELMNALRRK2CYP1A2
SCHEMBL16652420 0.60 CCNE1 (0.47) PARP1CCNE1CDK2ALDH1A1KDM4E
SCHEMBL3485414 0.60 ALDH1A1 (1.00) PARP1ALDH1A1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2647382-A1 Compositions and methods for treating epithelial and retinal tissue diseases Inspire Pharmaceuticals, Inc. (US) 2013-10-09 EP disclosed
US-7612047-B2 Degradation-resistant mononucleoside phosphate compounds INSPIRE PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS DOUGLASS III JAMES G 2009-03-19 US disclosed
US-7115585-B2 Compositions for treating epithelial and retinal tissue diseases INSPIRE PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
EP-1545555-A2 COMPOSITIONS AND METHODS FOR TREATING EPITHELIAL AND RETINAL TISSUE DISEASES Inspire Pharmaceuticals, Inc. (US) 2005-06-29 EP disclosed
WO-2003072067-A2 COMPOSITIONS AND METHODS FOR TREATING EPITHELIAL AND RETINAL TISSUE DISEASES INSPIRE PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed
US-20030008834-A1 Compsoitions and methods for treating epithelia and retinal tissue diseases INSPIRE PHARMACEUTICALS, INC. 2003-01-09 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 (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-20030008834-A1 Compsoitions and methods for treating epithelia and retinal tissue diseases ENPP1, PNKP, ENTPD5 PARP1 69/4885CCNE1 4400/4885CDK2 3828/4885
US-20090076256-A1 DEGRADATION-RESISTANT MONONUCLEOSIDE PHOSPHATE COMPOUNDS PNKP, ENTPD5, ENPP1 PARP1 68/4885CCNE1 4136/4885CDK2 2579/4885

“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.