SCHEMBL8318005

SCHEMBL8318005

CCOC(=O)[C@H]1CCCN1C(=O)c1cc2ncnc(NC(C)c3nc4cc(Cl)ccc4[nH]3)c2cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
TSHR P16473 3/20 0.37
HCRTR2 O43614 3/20 0.36
HCRTR1 O43613 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2 P00734 1/20 0.35
LMNA P02545 4/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4144538 1.00 KMT2A (0.38) KMT2AMEN1RAB9AATMCNR1
SCHEMBL4144534 1.00 KMT2A (0.38) KMT2AMEN1RAB9AATMCNR1
SCHEMBL6256082 1.00 KMT2A (0.38) KMT2AMEN1RAB9AATMCNR1
SCHEMBL4148004 1.00 KMT2A (0.38) KMT2AMEN1RAB9AATMCNR1
SCHEMBL4149612 0.98 KMT2A (0.39) KMT2AMEN1RAB9AATMCNR1
SCHEMBL8323943 0.98 KMT2A (0.39) KMT2AMEN1RAB9AATMCNR1
SCHEMBL4149610 0.98 KMT2A (0.39) KMT2AMEN1RAB9AATMCNR1
SCHEMBL4157408 0.93 ALDH1A1 (0.38) KMT2ARAB9ACNR1CNR2HCRTR2
SCHEMBL8324878 0.93 ALDH1A1 (0.38) KMT2ARAB9ACNR1CNR2HCRTR2
SCHEMBL4157412 0.93 ALDH1A1 (0.38) KMT2ARAB9ACNR1CNR2HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 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 (1 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-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 KMT2A 4761/4885MEN1 407/4885RAB9A 1969/4885

“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.