SCHEMBL1408291

SCHEMBL1408291

CN1CCC(N(C)c2ccc(N)cc2C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NOS2 P35228 2/20 0.45
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HTR2A P28223 7/20 0.39
HTR2C P28335 6/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
PIM1 P11309 1/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL6812214 0.80 MAPT (0.48) NOS3NOS1NOS2POLBGAA
SCHEMBL3529231 0.79 NOS3 (0.42) NOS3NOS1NOS2POLBHTR2A
SCHEMBL15690133 0.78 NOS2 (0.65) NR1H2NOS3NOS1NOS2POLB
SCHEMBL1407806 0.78 ALDH1A1 (0.47) NOS3NOS1NOS2POLBHTR2A
SCHEMBL1264147 0.78 HTR2A (0.48) NOS3NOS1NOS2HTR2AHTR2C
SCHEMBL14320324 0.75 NR1H2 (0.52) NR1H2POLBTSHRGLAGAA
SCHEMBL6846758 0.73 GAA (0.55) NR1H2POLBTSHRGLAGAA
SCHEMBL16895215 0.73 NR1H2 (0.50) NR1H2NOS3NOS1NOS2POLB
SCHEMBL1126485 0.72 ALDH1A1 (0.43) POLBTSHRGAAHTR2AHTR2C
SCHEMBL6819299 0.72 KDM4E (0.42) NOS3NOS1NOS2POLBHTR2A

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-2917214-B1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2019-08-28 EP disclosed
US-9604980-B2 Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-28 US disclosed
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-10-22 US disclosed
US-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2012-07-19 US disclosed
US-8030311-B2 Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-1874770-B1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-09 EP disclosed
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors NOVARTIS AG (CH) 2008-12-25 US disclosed
CN-101198607-A Phenylacetamides suitable as protein kinase inhibitors NOVARTIS AG (CH) 2008-06-11 CN disclosed
EP-1874770-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS Novartis Pharma AG (CH) 2008-01-09 EP disclosed
WO-2006108640-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2006-10-19 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 (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-20120184561-A1 PHENYLACETAMIDES SUITABLE AS PROTEIN KINASE INHIBITORS MAP3K10, MAP3K20, MAP3K9 NR1H2 3252/4885NOS3 2040/4885NOS1 2314/4885
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, MAP3K8, MAP3K1 NR1H2 3888/4885NOS3 2265/4885NOS1 2286/4885
US-20080319005-A1 Phenylacetamides Suitable as Protein Kinase Inhibitors MAP3K20, MAP3K10, MAP3K9 NR1H2 3125/4885NOS3 1862/4885NOS1 2147/4885

“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.