SCHEMBL4840104

SCHEMBL4840104

COc1ccc(Cn2cnc(-c3ccccc3)c2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.58
CYP2E1 P05181 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2B6 P20813 1/20 0.57
CYP2C19 P33261 1/20 0.57
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4C Q9H3R0 1/20 0.50
KDM5B Q9UGL1 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL5755079 0.94 NPC1 (0.60) HPGDSCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL5761329 0.93 CYP11B1 (0.54) HPGDSCDK5CDK5R1NPC1RAB9A
SCHEMBL5757721 0.87 CLK1 (0.50) CDK5CDK5R1NPC1RAB9ACYP11B1
SCHEMBL5757600 0.87 NPC1 (0.61) CDK5CDK5R1NPC1RAB9ACYP11B1
SCHEMBL1346083 0.85 HPGDS (0.77) HPGDSCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL5757005 0.84 HPGDS (0.62) HPGDSCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL5758431 0.82 HPGDS (0.64) HPGDSCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL23123623 0.81 CYP2E1 (0.49) HPGDSCYP2E1CYP3A4CYP2D6CYP2A6
SCHEMBL5757769 0.81 KDM4C (0.49) CDK5CDK5R1NPC1CYP11B1CYP11B2
SCHEMBL23124130 0.81 CDK5 (0.48) HPGDSCYP2E1CYP3A4CYP2D6CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 HPGDS 2191/4885CYP2E1 1772/4885CYP3A4 2862/4885

“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.