SCHEMBL9914140

SCHEMBL9914140

C/N=C(C(=N/C)/c1ccccc1)\c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.42
CES2 O00748 4/20 0.41
CES1 P23141 4/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38

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
SCHEMBL3067282 0.90 GAA (0.54) CYP2C19GAAATMCES2CES1
SCHEMBL3067286 0.90 GAA (0.54) CYP2C19GAAATMCES2CES1
SCHEMBL14579740 0.85 NOS3 (0.39) CYP2C19GAAATMCES2CES1
SCHEMBL15850514 0.84 ATM (0.42) CYP2C19GAAATMCES2CES1
SCHEMBL14252434 0.83 NOS3 (0.38) CYP2C19GAAATMCES2CES1
SCHEMBL22101827 0.83 F2 (0.41) CYP2C19GAAATMCES2CES1
SCHEMBL25619418 0.82 F2 (0.37) CYP2C19GAAATMCES2CES1
SCHEMBL22256567 0.78 ATM (0.39) CYP2C19ATMCES2CES1TSHR
SCHEMBL19001309 0.78 MAPT (0.44) CYP2C19GAACES2CES1TSHR
SCHEMBL862271 0.77 ALDH1A1 (0.45) CYP2C19ATMCES2CES1TSHR

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
US-9200104-B2 Polymer WARWICK EFFECT POLYMERS LIMITED (GB) 2015-12-01 US disclosed
US-20130295040-A1 POLYMER WARWICK EFFECT POLYMERS LTD (US) 2013-11-07 US disclosed
US-8436104-B2 Polymer WARWICK EFFECT POLYMERS LIMITED (GB) 2013-05-07 US disclosed
US-8197847-B2 Process for making polymers and supports comprising pendant sugar side groups WARWICK EFFECT POLYMERS LTD. (GB) 2012-06-12 US disclosed
US-20090082224-A1 POLYMERS WARWICK EFFECT POLYMERS LIMITED (GB) 2009-03-26 US disclosed
US-20080300348-A1 Polymer WARWICK EFFECT POLYMERS LIMITED 2008-12-04 US disclosed
US-20070219330-A1 Amide initiators WARWICK EFFECT POLYMERS LIMITED (GB) 2007-09-20 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-20130295040-A1 POLYMER PCNA, PARG, COASY CYP2C19 3283/4885GAA 2576/4885ATM 3663/4885

“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.