SCHEMBL4154842

SCHEMBL4154842

C[C@H](N)c1nc2cc(Br)ccc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.45
CDC7 O00311 1/20 0.45
PIM1 P11309 1/20 0.45
CSNK2B P67870 1/20 0.45
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
RAB9A P51151 1/20 0.42
SCN10A Q9Y5Y9 8/20 0.39
PARP1 P09874 1/20 0.39
PABPC1 P11940 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
BACE1 P56817 1/20 0.37
HTT P42858 1/20 0.37
NOS1 P29475 1/20 0.36
METAP2 P50579 1/20 0.36

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
SCHEMBL5101171 1.00 CSNK2A1 (0.45) CSNK2A1CDC7PIM1CSNK2BLMNA
SCHEMBL1516619 0.86 LMNA (0.57) CSNK2A1LMNAKDM4EHSD17B10TAAR1
SCHEMBL17515817 0.83 TAAR1 (0.65) TAAR1
SCHEMBL4158718 0.82 SCN10A (0.57) LMNAKDM4EHSD17B10TAAR1RAB9A
SCHEMBL4573758 0.81 CYP1A2 (0.53) LMNAKDM4EHSD17B10TAAR1SCN10A
SCHEMBL31709619 0.81 LMNA (0.41) CSNK2A1LMNAKDM4EHSD17B10TAAR1
SCHEMBL6471271 0.80 ALPL (0.49) LMNAKDM4EHSD17B10TAAR1SCN10A
SCHEMBL8071559 0.80 ALPL (0.49) LMNAKDM4EHSD17B10TAAR1SCN10A
SCHEMBL5110077 0.80 KDM4E (0.42) LMNAKDM4EHSD17B10TAAR1SCN10A
SCHEMBL1479636 0.80 LMNA (0.42) LMNAKDM4EHSD17B10TAAR1SCN10A

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 7 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-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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 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 (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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 CSNK2A1 1336/4885CDC7 3670/4885PIM1 4704/4885
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 CSNK2A1 932/4885CDC7 4570/4885PIM1 4400/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 CSNK2A1 1434/4885CDC7 4399/4885PIM1 4723/4885

“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.