SCHEMBL6987156

SCHEMBL6987156

Cc1ccc(CCn2ccnc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.69
CYP11B1 P15538 1/20 0.69
CYP11B2 P19099 1/20 0.69
TBXAS1 P24557 2/20 0.60
KMT2A Q03164 1/20 0.60
QPCT Q16769 1/20 0.58
HMOX1 P09601 3/20 0.56
PRKCI P41743 1/20 0.51

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
SCHEMBL19390253 0.90 CYP19A1 (0.71) CYP19A1CYP11B1CYP11B2TBXAS1QPCT
SCHEMBL10247237 0.88 HMOX1 (0.72) CYP19A1CYP11B1CYP11B2TBXAS1QPCT
SCHEMBL570591 0.83 CYP11B1 (0.66) CYP19A1CYP11B1TBXAS1KMT2AHMOX1
SCHEMBL4316370 0.82 CYP11B1 (0.69) CYP19A1CYP11B1CYP11B2TBXAS1KMT2A
SCHEMBL16719036 0.82 CYP19A1 (0.81) CYP19A1CYP11B1CYP11B2TBXAS1KMT2A
SCHEMBL27460992 0.82 TBXAS1 (0.60) CYP19A1CYP11B1CYP11B2TBXAS1KMT2A
SCHEMBL6986190 0.82 HMOX1 (0.79) CYP19A1CYP11B1CYP11B2TBXAS1KMT2A
SCHEMBL10788342 0.82 TBXAS1 (0.65) CYP19A1TBXAS1KMT2AHMOX1
SCHEMBL11253750 0.82 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL171734 0.81 CYP11B1 (1.00) CYP19A1CYP11B1CYP11B2TBXAS1QPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190270079-A1 Water Soluble Homogeneous Catalysts That Are Recoverable By Phase Selectivity And Host-Guest Interactions FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-09-05 US disclosed
US-20090029964-A1 Novel carbapenem compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-01-29 US disclosed
US-20090029964-A1 Novel carbapenem compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-01-29 US disclosed
EP-0588858-B1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP disclosed
US-5468743-A Imidazo[2,1-b]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1995-11-21 US disclosed
EP-0588858-A1 IMIDAZO 2,1-b] 3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-30 EP disclosed
WO-1992022551-A1 IMIDAZO[2,1-b][3]BENZAZEPINE DERIVATIVES, COMPOSITIONS AND METHOD OF USE JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-23 WO disclosed
EP-0518435-A1 Imidazo[2,1-b][3]benzazepine derivatives, compositions and method of use JANSSEN PHARMACEUTICA N.V. (BE) 1992-12-16 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 (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-20090029964-A1 Novel carbapenem compound MGAM2, OXA1L, RIOX2 CYP19A1 1367/4885CYP11B1 2664/4885CYP11B2 1462/4885
US-20190270079-A1 Water Soluble Homogeneous Catalysts That Are Recoverable By Phase Selectivity And Host-Guest Interactions NUDC, CCNC, CXCL12 CYP19A1 1536/4885CYP11B1 1329/4885CYP11B2 1318/4885

“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.