SCHEMBL3728063

SCHEMBL3728063

Brc1cncc(C2=CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP2A6 P11509 2/20 0.40
PTK2 Q05397 1/20 0.39
PSMB5 P28074 3/20 0.38
PPARA Q07869 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
PTGS2 P35354 1/20 0.35
PIM1 P11309 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR1A P08908 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL23960571 0.95 PSMB5 (0.43) PDGFRBPDGFRACYP2A6PTK2PSMB5
SCHEMBL13778365 0.78 PSMB5 (0.48) PDGFRBPDGFRACYP2A6PSMB5PPARA
SCHEMBL4150712 0.75 HTR2C (0.61) PTK2
SCHEMBL31149504 0.75 HTR2C (0.61) PTK2
SCHEMBL16135140 0.74 HTR1A (0.41) PDGFRBPDGFRAPSMB5PPARACYP11B2
SCHEMBL5387785 0.74 PSMB5 (0.38) PDGFRBPDGFRAPSMB5PPARAACMSD
SCHEMBL17820514 0.74 CYP2A6 (0.42) PDGFRBPDGFRACYP2A6PSMB5PPARA
SCHEMBL13778361 0.73 PSMB5 (0.54) PDGFRBPDGFRACYP2A6PSMB5CYP11B2
SCHEMBL25348846 0.72 CYP2A6 (0.44) CYP2A6PTK2CYP11B1CYP11B2PTGS2
SCHEMBL14392676 0.72 CYP2A6 (0.61) CYP2A6PTK2CYP11B1CYP11B2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO disclosed
US-7235568-B2 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-06-26 US disclosed
US-7235568-B2 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-06-26 US disclosed
US-7235568-B2 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-06-26 US disclosed
US-7163957-B2 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-01-16 US disclosed
US-7163957-B2 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-01-16 US disclosed
US-7163957-B2 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2007-01-16 US disclosed
US-20060264471-A1 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derviatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2006-11-23 US disclosed
EP-1551821-B1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PF MEDICAMENT (FR) 2006-05-17 EP disclosed
US-20060014827-A1 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia PIERRE FABRE MEDICAMENT (FR) 2006-01-19 US disclosed
EP-1551821-A1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2005-07-13 EP disclosed
WO-2004035561-A1 3-(CYCLOPENTEN-1-YL)-BENZYL- OR 3-(CYCLOPENTEN-1-YL)-HETEROARYLMETHYL-AMINE DERIVATIVES AND USE THEREOF AS MEDICINES FOR TREATING SCHIZOPHRENIA PIERRE FABRE MEDICAMENT (FR) 2004-04-29 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-20060264471-A1 3-(cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derviatives and use thereof as medicines for treating schizophrenia CNR2, CNR1, DBH PDGFRB 4681/4885PDGFRA 4514/4885CYP2A6 366/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 PDGFRB 221/4885PDGFRA 100/4885CYP2A6 1045/4885
US-20060014827-A1 3-(Cyclopenten-1-yl)-benzyl-or 3-(cyclopenten-1-yl)-heteroarylmethyl-amine derivatives and use thereof as medicines for treating schizophrenia CHRNA3, CHRNB3, CNR2 PDGFRB 4812/4885PDGFRA 4723/4885CYP2A6 790/4885

“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.