SCHEMBL4281899

SCHEMBL4281899

Nc1n[nH]c2c1CN(S(=O)(=O)c1cccc(F)c1)C2

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
PKM P14618 2/20 0.42
PKLR P30613 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
GPR183 P32249 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GFER P55789 1/20 0.39
HMOX1 P09601 2/20 0.39
MAPK1 P28482 1/20 0.39
PARP1 P09874 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR6 P50406 2/20 0.38
POLB P06746 1/20 0.38
CHRM1 P11229 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
SCHEMBL4287748 0.84 HTR6 (0.42) PKMKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL4281894 0.84 TDP1 (0.46) TDP1PKMPKLRGPR183KMT2A
SCHEMBL4287257 0.72 KMT2A (0.53) KMT2AMEN1MAPK1POLB
SCHEMBL4290101 0.72 IGF1R (0.61) HTR6
SCHEMBL4291557 0.71 IGF1R (0.64) KMT2AHTR6
SCHEMBL4283397 0.71 IGF1R (0.63) KMT2ASMN1; SMN2
SCHEMBL31315849 0.70 PKM (0.70) TDP1PKMPKLRHTR2AHTR2C
SCHEMBL4287315 0.70 IGF1R (0.77)
SCHEMBL14489550 0.68 ALDH1A1 (0.69) TDP1PKMPKLRHTR2AHTR2C
SCHEMBL4287742 0.68 HTR6 (0.39) PKMKMT2AMEN1PARP1HTR6

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-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP claimed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
EP-1999131-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-10 EP disclosed
WO-2007099171-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 TDP1 1474/4885PKM 403/4885PKLR 374/4885

“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.