SCHEMBL6806932

SCHEMBL6806932

COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 8/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
NR4A1 P22736 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HPSE Q9Y251 3/20 0.44

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 SCHEMBL6809944 0.99 KMT2A (0.48) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL6806595 0.91 PLAU (0.46) KMT2AMEN1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6805840 0.91 PLAU (0.45) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL6805569 0.91 MAPT (0.58) KMT2AMEN1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7020856 0.90 MAPT (0.57) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL6805130 0.90 KCNQ3 (0.54) RAB9ANPC1CYP3A4POLBHTR1D
SCHEMBL6805046 0.90 NPC1 (0.51) KMT2AMEN1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6805452 0.89 NPC1 (0.50) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL6806905 0.87 RAB9A (0.47) MAPTRAB9ASMN1; SMN2NPC1ALOX15
SCHEMBL6805984 0.87 CSF1R (0.44) RAB9ANPC1CYP3A4POLBROCK2

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
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

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 KMT2A 2431/4885MEN1 1131/4885MAPT 2605/4885

“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.