SCHEMBL2922604

SCHEMBL2922604

CCC(=O)Nc1c2c(nn1-c1ccc(N3CCCC3=O)cc1)CN(NC(=O)Nc1ccc(F)cc1F)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 3/20 0.42
P2RX7 Q99572 1/20 0.40
F10 P00742 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
MGAT2 Q10469 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
SCHEMBL2923669 0.88 USP2 (0.49) ALDH1A1USP2TP53NPC1RAB9A
SCHEMBL2923240 0.85 F10 (0.43) ALDH1A1USP2F10NPC1RAB9A
SCHEMBL2914369 0.82 CCNA2 (0.45) ALDH1A1USP2TP53P2RX7SMN1; SMN2
SCHEMBL4232634 0.80 ALDH1A1 (0.44) ALDH1A1USP2TP53P2RX7F10
SCHEMBL2957861 0.78 USP2 (0.41) ALDH1A1USP2TP53F10RAB9A
SCHEMBL2919290 0.75 GAA (0.40) ALDH1A1USP2F10NPC1RAB9A
SCHEMBL2925302 0.75 USP2 (0.45) ALDH1A1USP2TP53F10RAB9A
SCHEMBL2922601 0.72 CCNA2 (0.48) ALDH1A1TP53NPC1RAB9AGLA
SCHEMBL2915969 0.72 MAPT (0.44) ALDH1A1USP2NPC1RAB9APKM
SCHEMBL5226832 0.66 PKM (0.60) ALDH1A1TP53NPC1RAB9APKM

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 8 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-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 US 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
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-7541354-B2 Bicyclo-pyrazoles PFIZER ITALIA S.R.L. (IT) 2009-06-02 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
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 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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885USP2 2428/4885TP53 779/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885USP2 2428/4885TP53 779/4885

“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.