SCHEMBL5046239

SCHEMBL5046239

Clc1ncc(Br)cc1CBr

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
PLAU P00749 1/20 0.35
DYRK1A Q13627 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
ALPL P05186 1/20 0.31
PDXK O00764 1/20 0.31
CCR5 P51681 1/20 0.30
GFER P55789 1/20 0.30
HIF1A Q16665 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30

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
SCHEMBL31430877 0.83 KMT2A (0.37) KMT2AHTTPLAUDYRK1AMEN1
SCHEMBL856508 0.83 KMT2A (0.37) KMT2AHTTPLAUDYRK1AMEN1
SCHEMBL25233643 0.81 ALDH1A1 (0.39) KMT2AHTTPLAUMAPTALPL
SCHEMBL15052641 0.81 CCR5 (0.42) KMT2AHTTPLAUDYRK1ACCR5
SCHEMBL15052847 0.81 HTT (0.34) KMT2AHTTPLAUDYRK1AMEN1
SCHEMBL1543624 0.81 PDXK (0.46) KMT2AHTTPLAUMEN1MAPT
SCHEMBL6631024 0.80 PLAU (0.33) PLAUPDXK
Hydrochloric Acid SCHEMBL16635240 0.79 CCR5 (0.41) KMT2AHTTPLAUDYRK1ACCR5
SCHEMBL13519513 0.78 SIRT2 (0.35) KMT2AHTTPLAUALPL
SCHEMBL2066886 0.78 KMT2A (0.36) KMT2AHTTPLAUMEN1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459483-A Fused tricyclic compounds, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-08-09 CN disclosed
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
US-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2020-06-16 US disclosed
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2020-02-13 US disclosed
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2019-05-28 US disclosed
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2018-07-31 US disclosed
US-20170320864-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders NOVARTIS AG (CH) 2017-11-09 US disclosed
US-9550758-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders NOVARTIS AG (CH) 2017-01-24 US disclosed
EP-2663561-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2016-03-16 EP disclosed
EP-1725565-B1 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL MYERS SQUIBB CO (US) 2013-07-03 EP disclosed
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-07-19 US disclosed
WO-2012095521-A1 BACE-2 INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
WO-2012095469-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2012-07-19 WO disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378426-B2 Fused heterotricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
EP-1725565-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 Bristol-Myers Squibb Company (US) 2006-11-29 EP disclosed
WO-2005084295-A2 FUSED HETEROTRICYCLIC COMPOUNDS AS INHIBITORS OF 17B-HYDROXYSTEROID DEHYDROGENASE 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-15 WO disclosed
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US 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 (9 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-10683287-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 KMT2A 2422/4885HTT 152/4885PLAU 1469/4885
US-20200048236-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 KMT2A 2375/4885HTT 105/4885PLAU 1537/4885
US-20050192310-A1 Fused heterotricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B1, HSD17B2 KMT2A 3253/4885HTT 2776/4885PLAU 2798/4885
US-10301296-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 KMT2A 2422/4885HTT 152/4885PLAU 1469/4885
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 KMT2A 536/4885HTT 1850/4885PLAU 4791/4885
US-20170320864-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 KMT2A 2375/4885HTT 105/4885PLAU 1537/4885
US-10035794-B2 Heterocyclic derivatives and their use in the treatment of neurological disorders BACE2, BACE1, PSEN2 KMT2A 2422/4885HTT 152/4885PLAU 1469/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 KMT2A 558/4885HTT 1929/4885PLAU 4789/4885
US-20120184539-A1 Novel Heterocyclic Derivatives and Their Use in the Treatment of Neurological Disorders BACE2, BACE1, PSEN2 KMT2A 2375/4885HTT 105/4885PLAU 1537/4885

“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.