SCHEMBL2916137

SCHEMBL2916137

O=C(NC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(Cl)c3)c2C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
NAMPT P43490 1/20 0.43
NTRK1 P04629 1/20 0.42
ADORA1 P30542 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
AURKA O14965 1/20 0.41
ADORA2A P29274 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40

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
SCHEMBL2917988 0.91 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ACCNA2
SCHEMBL2918422 0.91 CCNA2 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ACCNA2
SCHEMBL2917282 0.90 KCNK3 (0.48) ALDH1A1SMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL2919482 0.88 AURKA (0.50) ALDH1A1KCNK3NPC1RAB9ACCNA2
SCHEMBL2924315 0.88 MEN1 (0.46) ALDH1A1SMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL2922078 0.87 CXCR3 (0.47) ALDH1A1NPC1RAB9ACCNA2CDK2
SCHEMBL2923591 0.86 NAMPT (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ACCNA2
SCHEMBL2919516 0.86 NPC1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ACCNA2
SCHEMBL2916879 0.85 NPC1 (0.46) ALDH1A1SMN1; SMN2KCNK3KCNK9NPC1
SCHEMBL2919392 0.85 CCNA2 (0.51) ALDH1A1NPC1RAB9ACCNA2CDK2

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-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
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-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 (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 4090/4885SMN1; SMN2 3514/4885KCNK3 678/4885
US-20090221632-A1 Bicyclo-Pyrazoles and Pharmaceutical Compositions Comprising Them MAP3K20, PLK2, PRKAA1 ALDH1A1 3455/4885SMN1; SMN2 2568/4885KCNK3 861/4885
US-20030171357-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 ALDH1A1 4090/4885SMN1; SMN2 3514/4885KCNK3 678/4885

“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.