SCHEMBL1980670

SCHEMBL1980670

c1ccc2ccc3ncnc3c2nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
CCR1 P32246 4/20 0.58
CCR8 P51685 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
CCR5 P51681 3/20 0.58
CYP3A4 P08684 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
MMP2 P08253 2/20 0.58
TSHR P16473 2/20 0.58
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58

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
SCHEMBL8585181 0.83 MAPT (0.46) LMNACCR1CCR8KDM4EMAPT
SCHEMBL31418346 0.81 LMNA (0.73) LMNACCR1CCR8KDM4EMAPT
SCHEMBL5789671 0.81 LMNA (0.73) LMNACCR1CCR8KDM4EMAPT
Phenanthroline SCHEMBL9343811 0.78 KDM4E (0.84) LMNACCR1CCR8KDM4EMAPT
SCHEMBL194481 0.77 LMNA (0.43) LMNACCR1CCR8KDM4EMAPT
Phenanthroline SCHEMBL27878295 0.76 KDM4E (0.80) LMNACCR1CCR8KDM4EMAPT
Phenanthroline SCHEMBL29013283 0.75 CCR1 (0.89) LMNACCR1CCR8KDM4EMAPT
Phenanthroline SCHEMBL29354015 0.75 CCR1 (1.00) LMNACCR1CCR8KDM4EMAPT
Phenanthroline SCHEMBL8845760 0.75 CCR1 (1.00) LMNACCR1CCR8KDM4EMAPT
Phenanthroline SCHEMBL8312 0.75 CCR1 (1.00) LMNACCR1CCR8KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509981-B1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE LILLY CO ELI (US) 2014-08-06 EP disclosed
US-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
US-8796260-B2 Imidazobenzazepine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-08-05 US disclosed
EP-1401838-B1 NOVEL SUBSTITUTED TETRACYCLIC IMIDAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND THEIR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2014-03-26 EP disclosed
US-8299061-B2 Inhibitors of diacylglycerol acyltransferase ELI LILLY AND COMPANY (US) 2012-10-30 US disclosed
EP-2509981-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Eli Lilly and Company (US) 2012-10-17 EP disclosed
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase ELI LILLY AND COMPANY (US) 2011-06-16 US disclosed
WO-2011071840-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE ELI LILLY AND COMPANY (US) 2011-06-16 WO disclosed
US-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
WO-2010142652-A1 IMIDAZOBENZAZEPINE COMPOUNDS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM (CNS) DISEASES GLAXO GROUP LIMITED (GB) 2010-12-16 WO disclosed
EP-0675889-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
EP-0675887-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-11 EP disclosed
EP-0672047-A1 ANTIALLERGIC IMIDAZO 1,2-a](PYRROLO, THIENO OR FURANO) 2,3-d]AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-20 EP disclosed
US-5393753-A Antiallergens, antiinflammatory agents SCHERING CORPORATION (US) 1995-02-28 US disclosed
WO-1994013671-A1 ANTIALLERGIC TRIAZOLOBENZAZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed
WO-1994013680-A1 ANTIALLERGIC IMIDAZO[1,2-a](PYRROLO, THIENO OR FURANO)[2,3-d]AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed
WO-1994013681-A1 ANTIALLERGIC TRIAZOLO(PYRROLO, THIENO OR FURANO)AZEPINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-23 WO disclosed
EP-0577788-A1 INSECT CONTROL WITH SUBSTITUTED OXADIAZOLE AND THIADIAZOLE COMPOUNDS DOWELANCO (US) 1994-01-12 EP disclosed
US-5244906-A Miticides for rice DOWELANCO (US) 1993-09-14 US disclosed
WO-1993014636-A1 INSECT CONTROL WITH SUBSTITUTED OXADIAZOLE AND THIADIAZOLE COMPOUNDS DOWELANCO (US) 1993-08-05 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 (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-20100324023-A1 IMIDAZOBENZAZEPINE CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, CALCRL LMNA 933/4885CCR1 612/4885CCR8 941/4885
US-20110144091-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT1, DGAT2, LCAT LMNA 4620/4885CCR1 4507/4885CCR8 4829/4885

“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.