SCHEMBL1785086

SCHEMBL1785086

CN1CCN(CCN[C]=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PAOX Q6QHF9 1/20 0.38
CNR1 P21554 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
KAT2B Q92831 1/20 0.36
KDM1A O60341 1/20 0.36
HTR4 Q13639 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL3927123 0.87 PAOX (0.44) HDAC2HDAC8HDAC6PAOXSIGMAR1
SCHEMBL3948277 0.84 SLC2A1 (0.38) CARM1PRMT6PRMT8ACE2ALDH1A1
SCHEMBL3951607 0.84 SLC2A1 (0.37) CARM1PRMT6PRMT8ACE2ALDH1A1
SCHEMBL1307630 0.84 CARM1 (0.50) CARM1PRMT6PRMT8ACE2ALDH1A1
SCHEMBL5748703 0.84
SCHEMBL348038 0.82 CARM1 (0.48) CARM1PRMT6PRMT8ALDH1A1POLB
SCHEMBL4166360 0.81 KMT2A (0.33) CNR1CARM1PRMT6PRMT8ACE2
SCHEMBL3949628 0.80 ALDH1A1 (0.43) ACE2ALDH1A1TSHRTP53
SCHEMBL7562167 0.79 NPSR1 (0.43) HDAC2HDAC8HDAC6PAOXCYP1A2
SCHEMBL5261878 0.78 ACE2 (0.34) CARM1PRMT6PRMT8ACE2KDM1A

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 129 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-10 US claimed
EP-3558999-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-10-30 EP claimed
CN-110062758-A BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS 奇斯药制品公司 2019-07-26 CN claimed
WO-2018115383-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-28 WO claimed
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTISI S.p.A. (IT) 2018-06-21 US claimed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US claimed
EP-2212326-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-04 EP claimed
WO-2009024824-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-02-26 WO claimed
CN-1541098-A Combination therapy for treatment of cancer �ո��� 2004-10-27 CN claimed
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. & PHARMACIA & UPJOHN CO. 2004-04-01 US claimed
US-5616578-A Method of treating human immunodeficiency virus infection using a cyclic protease inhibitor in combination with a reverse transcriptase inhibitor THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-01 US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT HDAC2 172/4885HDAC8 513/4885HDAC6 383/4885
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 HDAC2 3005/4885HDAC8 1521/4885HDAC6 1346/4885
US-20040063773-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors PDPK1, MAP3K20, PLK2 HDAC2 1247/4885HDAC8 1864/4885HDAC6 1212/4885
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT HDAC2 172/4885HDAC8 513/4885HDAC6 383/4885

“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.