SCHEMBL2615269

SCHEMBL2615269

Cc1cccc(-c2nnc(N)nc2N)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ MAOA P21397 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ ADRA1A P35348 1/20 0.71
▸ SCN4A P35499 1/20 0.71
▸ BLM P54132 1/20 0.71
▸ PMP22 Q01453 1/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ SCN5A Q14524 1/20 0.71
▸ SCN2A Q99250 1/20 0.71
▸ SCN3A Q9NY46 1/20 0.71
▸ SCN10A Q9Y5Y9 1/20 0.71
▸ CSNK1A1 P48729 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PTPN11 Q06124 2/20 0.42
▸ ADORA2A P29274 5/20 0.39
▸ ADORA1 P30542 5/20 0.39
▸ SRC P12931 3/20 0.39
▸ HEXA P06865 1/20 0.38

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
Lamotrigine SCHEMBL29360953 0.83 SCN9A (1.00) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL35439 0.83 SCN9A (1.00) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL722975 0.83 SCN9A (1.00) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL29801510 0.83 SCN9A (1.00) SCN9ACYP2D6MAOAMAPK1ADRA1A
SCHEMBL2324859 0.83 CSNK1A1 (0.56) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL3976541 0.83 SCN9A (0.91) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL1401495 0.82 SCN9A (0.97) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL17372723 0.82 SCN9A (0.97) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL3167376 0.82 SCN9A (0.97) SCN9ACYP2D6MAOAMAPK1ADRA1A
Lamotrigine SCHEMBL3976546 0.82 SCN9A (0.97) SCN9ACYP2D6MAOAMAPK1ADRA1A

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
EP-3804697-A1 COMBINATION PHARMACEUTICAL PREPARATION FOR ORAL APPLICATION COMPRISING LAMOTRIGINE AND SERTRALINE, ITS PREPARATION AND USE MEDITOP Gyógyszeripari Kft. (HU) 2021-04-14 — — EP disclosed
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — US disclosed
US-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN, INC. (US) 2012-04-05 — — US disclosed
US-20100029618-A1 ALPHA-2 RECEPTOR PAN AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN GIL DANIEL W 2010-02-04 — — US disclosed
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN ALLERGAN INC. 2008-06-26 — — 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 (4 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-20120083508-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 SCN9A 156/4885CYP2D6 1253/4885MAOA 1452/4885
US-20100029618-A1 ALPHA-2 RECEPTOR PAN AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, ADRA2A, ADRB2 SCN9A 183/4885CYP2D6 1074/4885MAOA 1181/4885
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS SCN9A 3656/4885CYP2D6 959/4885MAOA 1343/4885
US-20080153874-A1 ALPHA-2B RECEPTOR AGONIST AND ANTICONVULSANT COMPOSITIONS FOR TREATING CHRONIC PAIN CNR2, OPRL1, OPRD1 SCN9A 156/4885CYP2D6 1253/4885MAOA 1452/4885

“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.

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