SCHEMBL1385992

SCHEMBL1385992

NCCCCn1ccc(-c2cccnc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
TLR8 Q9NR97 1/20 0.43
HRH1 P35367 2/20 0.42
HDAC3 O15379 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
AR P10275 1/20 0.41
CYP2A6 P11509 5/20 0.41
CYP2C9 P11712 3/20 0.40

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
SCHEMBL27487465 0.85 NAMPT (0.43) NAMPTTLR8HDAC3HDAC1HDAC2
SCHEMBL5025530 0.84 NAMPT (0.42) NAMPTTLR8HDAC3HDAC1HDAC2
SCHEMBL5015503 0.84 CYP2A6 (0.44) NAMPTHDAC3HDAC1HDAC2HDAC4
SCHEMBL5017381 0.84 NAMPT (0.42) NAMPTTLR8HDAC3HDAC1HDAC2
SCHEMBL2126019 0.83 HDAC3 (0.46) NAMPTHDAC3HDAC1HDAC2HDAC4
SCHEMBL27535692 0.82 CYP2A6 (0.44) NAMPTMAPTARCYP2A6CYP2C9
SCHEMBL4260991 0.81 FYN (0.43) MAPTARCYP2A6CYP2C9CYP2B6
SCHEMBL5017240 0.81 CYP2A6 (0.43) MAPTARCYP2A6CYP2C9CYP2B6
SCHEMBL5016843 0.81 AR (0.45) NAMPTMAPTARCYP2A6CYP2C9
SCHEMBL4260988 0.81 CYP2A6 (0.43) NAMPTMAPTARCYP2A6CYP2C9

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
JP-4833078-B2 2011-12-07 JP claimed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN claimed
US-7524838-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2009-04-28 US claimed
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 EP claimed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN claimed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP claimed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO claimed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO claimed
CN-1165546-C New derivative of erythromycin, its preparation method and medicinal application ���˹��ء���³�� 2004-09-08 CN claimed
US-6664398-B2 Reacting a derivative of erythromycin containing imidazole-1-ylcaroxylate with a pyrazolealkylamine derivative, to form a desired antibiotic AVENTIS PHARMA S.A. (FR) 2003-12-16 US claimed
EP-1004592-B1 Derivatives of erythromycin, their process of preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-07-16 EP claimed
US-20030050254-A1 Reacting a derivative of erythromycin containing imidazole-1-ylcaroxylate with a pyrazolealkylamine derivative, to form a desired antibiotic HOECHST MARION ROUSSEL 2003-03-13 US claimed
CN-1263101-A New derivative of erythromycin, its preparation method and medicinal application HOECHST MARION ROUSSEL INC (FR) 2000-08-16 CN claimed
EP-1004592-A1 Derivatives of erythromycin, their process of preparation and their application as medicaments HOECHST MARION ROUSSEL (FR) 2000-05-31 EP claimed
US-8048893-B2 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA SA (FR) 2011-11-01 US disclosed
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US disclosed
US-20030050254-A1 Reacting a derivative of erythromycin containing imidazole-1-ylcaroxylate with a pyrazolealkylamine derivative, to form a desired antibiotic HOECHST MARION ROUSSEL 2003-03-13 US disclosed
US-6440941-B1 REACTION WITH AMINOALKYL-SUBSTITUTED 1H-PYRAZOLE AVENTIS PHARMA S.A. (FR) 2002-08-27 US disclosed
EP-1004592-A1 Derivatives of erythromycin, their process of preparation and their application as medicaments HOECHST MARION ROUSSEL (FR) 2000-05-31 EP 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-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 NAMPT 2908/4885TLR8 3449/4885HRH1 94/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 NAMPT 2860/4885TLR8 3511/4885HRH1 92/4885
US-20030050254-A1 Reacting a derivative of erythromycin containing imidazole-1-ylcaroxylate with a pyrazolealkylamine derivative, to form a desired antibiotic CBR3, AADAC, KYAT3 NAMPT 4380/4885TLR8 2311/4885HRH1 753/4885

“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.