SCHEMBL6802170

SCHEMBL6802170

CCc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NR4A1 P22736 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LCK P06239 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
ABL1 P00519 2/20 0.38
LYN P07948 1/20 0.38
BCR P11274 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
HTR2A P28223 2/20 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
Hydrochloric Acid SCHEMBL6810718 0.99 MAPT (0.41) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL6810117 0.89 LCK (0.42) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
Hydrochloric Acid SCHEMBL6802650 0.89 LCK (0.42) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL6806905 0.88 RAB9A (0.47) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL6805569 0.88 MAPT (0.58) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
Hydrochloric Acid SCHEMBL6805952 0.87 RAB9A (0.46) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
Hydrochloric Acid SCHEMBL7020856 0.87 MAPT (0.57) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL6805375 0.87 ABL1 (0.40) LCKMAPK14ABL1BCRDDR1
Hydrochloric Acid SCHEMBL6916171 0.86 ABL1 (0.39) LCKMAPK14ABL1BCRDDR1
SCHEMBL6806932 0.85 KMT2A (0.49) MAPTSMN1; SMN2ALOX15ALOX12NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP claimed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US claimed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
EP-1084122-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2001-03-21 EP disclosed
WO-1999065903-A1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1999-12-23 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 MAPT 2605/4885SMN1; SMN2 953/4885ALOX15 531/4885

“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.