SCHEMBL4935992

SCHEMBL4935992

CCN1CCN(C(=O)c2ccc(N)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
PIK3CA P42336 2/20 0.48
MTOR P42345 2/20 0.48
GAA P10253 1/20 0.46
ALPL P05186 1/20 0.46
HPGD P15428 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL30309520 1.00 ALDH1A1 (0.49) ALDH1A1MAPTLMNAPIK3CAMTOR
SCHEMBL15688131 0.89 ALDH1A1 (0.56) ALDH1A1MAPTLMNAGAAALPL
SCHEMBL7879090 0.84 MEN1 (0.58) ALDH1A1MAPTLMNAALPLHPGD
SCHEMBL4936365 0.84 RAD52 (0.54) ALDH1A1MAPTGAAHPGDMEN1
SCHEMBL30309430 0.84 LMNA (0.60) MAPTLMNAMTORP2RX7MEN1
SCHEMBL2522286 0.84 LMNA (0.60) MAPTLMNAMTORP2RX7MEN1
SCHEMBL30198967 0.83 CPS1 (0.52) ALDH1A1LMNAMTORHRH4
SCHEMBL22164004 0.83 HRH4 (0.43) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL21245769 0.83 CPS1 (0.52) ALDH1A1LMNAMTORHRH4
SCHEMBL23673621 0.83 PIK3CA (0.49) ALDH1A1MAPTLMNAPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020135507-A1 POLYSUBSTITUTED ANILINOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 杭州百新生物医药科技有限公司 2020-07-02 WO disclosed
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
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 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases BOLD GUIDO 2008-12-18 US disclosed
EP-1689376-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005051366-A2 DIARYL UREA DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-09 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 (2 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-20080312192-A1 Diaryl Urea Derivatives in the Treatment of Protein Kinase Dependent Diseases RET, PRKDC, PRKACA ALDH1A1 3290/4885MAPT 450/4885LMNA 2847/4885
US-20150299192-A1 SUBSTITUTED PYRIMIDINYL AND PYRIDINYL-PYRROLOPYRIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS RET, MAP3K8, MAP3K1 ALDH1A1 3230/4885MAPT 1780/4885LMNA 2052/4885

“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.