SCHEMBL3311056

SCHEMBL3311056

CCN1CCN(Cc2ccc(C(N)=O)cc2C(F)(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
RET P07949 3/20 0.50
KDR P35968 2/20 0.50
HTT P42858 3/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
HCK P08631 1/20 0.48
NR2C2 P49116 1/20 0.48
CLK1 P49759 1/20 0.48
MKNK2 Q9HBH9 2/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MAP3K7 O43318 1/20 0.47
MAP4K2 Q12851 1/20 0.47
DDR1 Q08345 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL2707620 0.90 NR1H2 (0.66) NR1H2ABL1DDR1KIT
SCHEMBL2313005 0.88 RET (0.51) NR1H2RETKDRHTTMAPK1
SCHEMBL2777362 0.88 DDR1 (0.51) NR1H2ATMDDR1KIT
SCHEMBL19986834 0.88 HTT (0.54) RETKDRHTTMAPK1ATM
SCHEMBL28222510 0.87 RET (0.52) NR1H2RETKDRMKNK2ABL1
SCHEMBL16380735 0.87 NR1H2 (0.49) NR1H2ATMDDR1KIT
Hydrochloric Acid SCHEMBL393146 0.87 RET (0.50) NR1H2RETKDRHTTMAPK1
SCHEMBL16380700 0.87 DDR1 (0.50) NR1H2ATMDDR1KIT
SCHEMBL2707798 0.86 DDR1 (0.56) NR1H2ATMABL1DDR1KIT
Hydrochloric Acid SCHEMBL3562574 0.86 RET (0.49) NR1H2RETKDRHTTMAPK1

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 25 patents — showing the first 20. 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 claimed
CN-108047219-A Substituted pyrimidine radicals and Pyridylpyrrole and pyridinone, its preparation method and its purposes as kinase inhibitor 内尔维阿诺医学科学有限公司 2018-05-18 CN claimed
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 claimed
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 claimed
EP-2917214-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2015-09-16 EP claimed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO claimed
US-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 US claimed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 US claimed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP claimed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 WO claimed
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
CN-104870446-B Substituted pyrimidinyl and pyridinyl-pyrrolopyridinones, process for their preparation and their use as kinase inhibitors 内尔维阿诺医学科学有限公司 2019-08-13 CN disclosed
US-20190010117-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2019-01-10 US disclosed
EP-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP disclosed
CN-108047219-A Substituted pyrimidine radicals and Pyridylpyrrole and pyridinone, its preparation method and its purposes as kinase inhibitor 内尔维阿诺医学科学有限公司 2018-05-18 CN disclosed
WO-2014072220-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-05-15 WO disclosed
US-8217045-B2 Organic compounds NOVARTIS AG (CH) 2012-07-10 US disclosed
US-20100113467-A1 Organic Compounds NOVARTIS AG 2010-05-06 US disclosed
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP disclosed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 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-20100113467-A1 Organic Compounds SLCO2A1, SLCO1B1, SLCO2B1 NR1H2 440/4885RET 3680/4885KDR 4081/4885
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, MAP3K8, MAP3K1 NR1H2 3888/4885RET 1/4885KDR 247/4885
US-20190010117-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, SLC14A1, TMEM164 NR1H2 2070/4885RET 118/4885KDR 580/4885

“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.