SCHEMBL6807053

SCHEMBL6807053

CN1Cc2cc(NC(=O)c3ccccc3)cnc2C(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.46
RAB9A P51151 8/20 0.44
NPC1 O15118 6/20 0.44
LCK P06239 1/20 0.44
MAPK14 Q16539 1/20 0.44
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B3 P37058 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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 SCHEMBL6807547 0.99 KDR (0.45) KDRRAB9ANPC1LCKMAPK14
Hydrochloric Acid SCHEMBL7840046 0.93 KDR (0.41) KDRRAB9ANPC1LCKMAPK14
SCHEMBL6801238 0.88 RAB9A (0.51) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
SCHEMBL6805039 0.87 ALDH1A1 (0.38) KDRRAB9ANPC1LCKMAPK14
SCHEMBL6806905 0.84 RAB9A (0.47) KDRRAB9ANPC1LCKMAPK14
Hydrochloric Acid SCHEMBL6805952 0.83 RAB9A (0.46) KDRRAB9ANPC1LCKMAPK14
SCHEMBL6802170 0.82 MAPT (0.42) RAB9ANPC1LCKMAPK14KMT2A
SCHEMBL6806932 0.81 KMT2A (0.49) RAB9ANPC1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL6810718 0.81 MAPT (0.41) RAB9ANPC1LCKMAPK14KMT2A
SCHEMBL6810117 0.81 LCK (0.42) KDRRAB9ALCKMAPK14SMN1; SMN2

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 KDR 2764/4885RAB9A 4276/4885NPC1 158/4885

“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.