SCHEMBL6806468

SCHEMBL6806468

COc1cc(OC(C)C)c(Cl)cc1C(=O)Nc1cnc2c(c1)CN(C)CC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.36
MAP4K1 Q92918 1/20 0.36
LRRK2 Q5S007 1/20 0.36
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
BRPF1 P55201 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTR2C P28335 1/20 0.35
LCK P06239 1/20 0.35
KDR P35968 1/20 0.35
MAPK14 Q16539 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KCNQ3 O43525 1/20 0.34

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 SCHEMBL6810196 0.99 ROCK2 (0.36) ROCK2MAP4K1LRRK2MAPTKMT2A
SCHEMBL7687183 0.89 EGFR (0.37) MAPTKMT2ATP53NPC1RAB9A
SCHEMBL6806994 0.84 KCNQ3 (0.47) ROCK2MAPTKMT2ATP53NPC1
Hydrochloric Acid SCHEMBL6802790 0.83 KCNQ3 (0.46) ROCK2MAPTKMT2ATP53NPC1
SCHEMBL6805046 0.83 NPC1 (0.51) ROCK2MAPTKMT2ATP53NPC1
Hydrochloric Acid SCHEMBL6805452 0.82 NPC1 (0.50) ROCK2MAPTKMT2ATP53NPC1
SCHEMBL7658672 0.79 KMT2A (0.42) ROCK2MAP4K1MAPTKMT2ATP53
SCHEMBL6807079 0.78 KCNQ3 (0.43) ROCK2MAPTTP53NPC1RAB9A
Hydrochloric Acid SCHEMBL6918109 0.78 KCNQ3 (0.42) ROCK2MAPTKMT2ATP53NPC1
SCHEMBL6806595 0.77 PLAU (0.46) ROCK2MAPTKMT2ATP53NPC1

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 6 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

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 ROCK2 4294/4885MAP4K1 4278/4885LRRK2 4316/4885

“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.