SCHEMBL2990343

SCHEMBL2990343

CCOc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.77
NPC1 O15118 4/20 0.77
CYP1A2 P05177 3/20 0.77
CYP2D6 P10635 3/20 0.77
CYP2C9 P11712 3/20 0.77
CYP2C19 P33261 3/20 0.77
CYP3A4 P08684 2/20 0.77
PTGS2 P35354 1/20 0.53
KMT2A Q03164 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
CYP2E1 P05181 2/20 0.52
CYP2C8 P10632 2/20 0.52

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
SCHEMBL2992736 0.91 RAB9A (0.74) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL9025242 0.90 CYP2C9 (0.70) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2986625 0.90 RAB9A (0.72) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2985096 0.89 RAB9A (0.74) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL29706525 0.89 RAB9A (0.74) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL8502781 0.89 CYP2C9 (0.68) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2983653 0.89 RAB9A (0.71) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL31515434 0.89 CYP2C9 (0.74) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL8501307 0.89 CYP2C9 (0.74) RAB9ANPC1CYP1A2CYP2D6CYP2C9
SCHEMBL2992805 0.88 RAB9A (0.70) RAB9ANPC1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778975-B2 Helicobacter pylori eradicating agent having inhibitory activity on gastric acid secretion Link Geonomics, Inc. (JP) 2014-07-15 US disclosed
US-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-01-10 US disclosed
US-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION ARIGEN PHARMACEUTICALS, INC. (JP) 2010-07-08 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 (2 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-20100173944-A1 HELICOBACTER PYLORI ERADICATING AGENT HAVING INHIBITORY ACTIVITY ON GASTRIC ACID SECRETION GIPR, PGC, SLC10A2 RAB9A 198/4885NPC1 1869/4885CYP1A2 2314/4885
US-20130012714-A1 NOVEL SOLVATE OF DEXLANSOPRAZOLE CYP2D6, CYP2S1, CYP2F1 RAB9A 1039/4885NPC1 4592/4885CYP1A2 46/4885

“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.