SCHEMBL6597600

SCHEMBL6597600

[c]1cncc(-n2ccnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
CYP2A6 P11509 1/20 0.39
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
ENPP2 Q13822 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL2264569 0.76 CYP3A4 (0.46) CYP3A4CYP2A6IDO1LOXL2LMNA
SCHEMBL12470705 0.69 LOXL2 (0.47) CYP3A4CYP2A6LOXL2LMNACYP1A2
SCHEMBL18429869 0.69 CYP3A4 (0.42) CYP3A4CYP2A6IDO1LOXL2LMNA
SCHEMBL31241182 0.66 MAPT (0.61) CYP3A4CYP2A6LOXL2LMNACYP1A2
SCHEMBL28581728 0.66 MAPT (0.61) CYP3A4CYP2A6LOXL2LMNACYP1A2
SCHEMBL28600504 0.65 CYP3A4 (0.38) CYP3A4CYP2A6IDO1LMNACYP1A2
SCHEMBL13882361 0.65 CYP3A4 (0.40) CYP3A4CYP2A6IDO1LOXL2LMNA
SCHEMBL29131511 0.65 CYP3A4 (0.38) CYP3A4CYP2A6IDO1LOXL2LMNA
SCHEMBL18708288 0.65 LMNA (0.44) CYP3A4CYP2A6IDO1LOXL2LMNA
SCHEMBL9885012 0.65 CYP3A4 (0.42) CYP3A4CYP2A6LOXL2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP claimed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US claimed
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 EP claimed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 US claimed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 WO claimed
EP-1373264-B1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LTD (GB) 2004-12-22 EP disclosed
US-6821972-B2 ANTISCARRING AGENTS; WOUND HEALING AGENTS; ENZYME INHIBITORS PFIZER INC. 2004-11-23 US disclosed
EP-1373264-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS Pfizer Limited (GB) 2004-01-02 EP disclosed
US-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PFIZER INC. 2003-04-10 US disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 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-20030069291-A1 3-heterocyclylpropanohydroxamic acid PCP inhibitors PAH, CYP2F1, CYP7A1 CYP3A4 58/4885CYP2A6 33/4885IDO1 1138/4885

“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.