SCHEMBL6476007

SCHEMBL6476007

O=C1[N]Nc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.41
MAOB P27338 2/20 0.41
PDGFRA P16234 1/20 0.41
FER P16591 1/20 0.41
LTK P29376 1/20 0.41
CDK8 P49336 1/20 0.41
ACVR1 Q04771 1/20 0.41
LRRK2 Q5S007 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
GSK3B P49841 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CDC25B P30305 3/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37

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
SCHEMBL1068870 1.00 MAOA (0.41) MAOAMAOBPDGFRAFERLTK
SCHEMBL8427493 0.86 MAOA (0.48) MAOAMAOBPDGFRAFERLTK
SCHEMBL131636 0.76 GSK3B (0.50) MAOAMAOBPDGFRAFERLTK
SCHEMBL5608450 0.70 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL4426047 0.70 TGM2 (0.38) KDM4E
SCHEMBL5819648 0.70 ESR1 (0.43) MAOAMAOBPDGFRAMAPTPTPRC
SCHEMBL5817820 0.70 CES1 (0.48) LTKCDK8ACVR1LRRK2DYRK1B
SCHEMBL5819402 0.70 CES1 (0.48) LTKCDK8ACVR1LRRK2DYRK1B
SCHEMBL370447 0.68 LRRK2 (0.48) MAOAMAOBPDGFRAFERLTK
SCHEMBL3962556 0.67 NOS2 (0.50) MAOAMAOBPDGFRAFERLTK

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
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US claimed
US-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2002-12-19 US claimed
US-5955464-A USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-21 US claimed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP claimed
US-6953810-B2 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-10-11 US disclosed
US-6894041-B2 Oxazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-05-17 US disclosed
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2004-03-11 US disclosed
US-6649633-B2 For treatment of diseases regulated by the activation and degranulation of eosinophils, especially asthma, chronic bronchitis, and chronic obstructuive pulmonary disease PFIZER INC 2003-11-18 US disclosed
EP-1355884-A1 NICOTINAMIDE BIARYL DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2003-10-29 EP disclosed
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes MARFAT ANTHONY (US) 2003-10-02 US disclosed
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP disclosed
US-5955464-A USE OF THE RECEPTOR TYROSINE KINASE INHIBITORY PROPERTIES OF THE COMPOUNDS IN THE TREATMENT OF PROLIFERATIVE DISEASE SUCH AS CANCER ZENECA LIMITED (GB) 1999-09-21 US disclosed
EP-0794953-B1 QUINAZOLINE DERIVATIVES ZENECA LTD (GB) 1999-05-06 EP disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0794953-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1997-09-17 EP disclosed
WO-1996016960-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-06-06 WO disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 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-20020193612-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAOA 129/4885MAOB 84/4885PDGFRA 771/4885
US-20030186974-A1 Pyrrolyl- and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE3B MAOA 168/4885MAOB 165/4885PDGFRA 155/4885
US-20040048903-A1 Nicotinamide biaryl derivatives useful as inhibitors of PDE4 isozymes CBR1, CBR3, NOX1 MAOA 153/4885MAOB 92/4885PDGFRA 841/4885

“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.