SCHEMBL2916752

SCHEMBL2916752

CCNC(=O)NN1Cc2nn(-c3ccc(N4CCCC4)cc3)c(NC(C)=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GFER P55789 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.34

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
SCHEMBL2923404 0.83 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL2925302 0.78 USP2 (0.45) ALDH1A1GAAMAPTCYP1A2POLB
SCHEMBL2923669 0.76 USP2 (0.49) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2916755 0.69 CDK2 (0.66) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL2919249 0.66 MAPT (0.38) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL975489 0.62 MAPT (1.00) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL20754953 0.61 ENPP2 (0.50) POLBHTT
SCHEMBL14559558 0.61 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL6689700 0.61 GFER (1.00) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL30555325 0.59 HTT (0.97) ALDH1A1KDM4EGAAMAPTMEN1

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-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP claimed
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2003-09-11 US claimed
US-8273765-B2 Bicyclo-pyrazoles and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2012-09-25 US disclosed
EP-1320531-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2010-09-08 EP disclosed
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them PFIZER ITALIA S.R.L. (IT) 2009-09-03 US disclosed
US-7531531-B2 Method of treating diseases associated with altered kinase activity with bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-05-12 US disclosed
US-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2007-08-16 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 (3 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885KDM4E 2358/4885GAA 1951/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885KDM4E 3487/4885GAA 1829/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885KDM4E 2358/4885GAA 1951/4885

“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.