SCHEMBL4031393

SCHEMBL4031393

CN1CCN(c2ccccc2C(=O)Nc2[nH]nc3c2CN(C(=O)Cc2ccccc2)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.53
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PLK1 P53350 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 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
SCHEMBL2918892 0.86 AURKA (0.72) AURKAABL1BCRPLK1CDK2
SCHEMBL4031398 0.84 AURKA (0.75) AURKAABL1BCRPLK1CCNA2
SCHEMBL2919277 0.78 CCNA2 (0.52) AURKAALDH1A1TSHRKMT2ACCNA2
SCHEMBL2920751 0.77 AURKA (0.55) AURKATSHRHDAC1NPC1RAB9A
SCHEMBL2917579 0.77 AURKA (0.70) AURKAALDH1A1ABL1BCRNPC1
SCHEMBL2916016 0.74 AURKA (0.47) AURKAALDH1A1HDAC1NPC1RAB9A
SCHEMBL2923157 0.74 AURKA (0.51) AURKAHDAC1NPC1KMT2AMEN1
SCHEMBL2917421 0.74 CCNA2 (0.49) AURKAALDH1A1NPC1RAB9ACCNA2
SCHEMBL2923319 0.73 AURKA (0.73) AURKAALDH1A1ABL1BCRPLK1
SCHEMBL2920529 0.73 AURKA (0.46) AURKAHDAC1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20070191386-A1 Bicyclo-pyrazoles active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K19, MAP3K1 AURKA 347/4885ALDH1A1 4090/4885TSHR 4177/4885

“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.