SCHEMBL6199065

SCHEMBL6199065

Nc1nc2ccccc2n1CCn1c(N)nc2ccccc21

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.85
POLB P06746 1/20 0.79
TLR8 Q9NR97 3/20 0.74
HTT P42858 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
NOD1 Q9Y239 4/20 0.62
CXCL8 P10145 2/20 0.62
TNF P01375 2/20 0.62
NOD2 Q9HC29 2/20 0.62
SOS1 Q07889 1/20 0.62
KMT2A Q03164 3/20 0.60
TP53 P04637 1/20 0.60
NOS2 P35228 1/20 0.59

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
SCHEMBL6196399 0.92 CXCR4 (1.00) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL7164854 0.92 CXCR4 (0.93) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL14447553 0.90 CXCR4 (0.96) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL13801517 0.90 CXCR4 (0.77) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL6197634 0.90 CXCR4 (0.96) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL1520381 0.89 POLB (1.00) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL11715808 0.87 CXCR4 (0.72) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL22121330 0.87 CXCR4 (0.72) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL17329351 0.87 CXCR4 (0.72) CXCR4POLBTLR8HTTCYP1A2
SCHEMBL3400537 0.87 CXCR4 (0.66) CXCR4POLBTLR8HTTCYP1A2

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-1091942-B1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH AS (DK) 2005-03-30 EP claimed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US claimed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US claimed
EP-1091942-B1 POTASSIUM CHANNEL BLOCKING AGENTS NEUROSEARCH AS (DK) 2005-03-30 EP disclosed
US-6569880-B2 Guanidine derivatives NEUROSEARCH A/S (DK) 2003-05-27 US disclosed
US-20020137784-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-09-26 US disclosed
US-6380180-B1 BENZIMIDAZOLE COMPOUNDS FOR TREATMENT OF ASTHMA, VASOSPASM, MEMORY LOSS, MIGRAINE AND OTHERS DISEASES ASSOCIATED WITH POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2002-04-30 US disclosed
US-20020049246-A1 Potassium channel blocking agents NEUROSEARCH A/S 2002-04-25 US disclosed
US-6194447-B1 ASTHMA, ANTICONVULSANTS, COGNITION ACTIVATORS, BRAIN DISORDERS, PSYCHOLOGICAL DISORDERS, CARDIOVASCULAR DISORDERS,GASTROINTESTINAL DISORDERS NEUROSEARCH A/S (DK) 2001-02-27 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-20020137784-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 CXCR4 1043/4885POLB 330/4885TLR8 3348/4885
US-20020049246-A1 Potassium channel blocking agents KCNH2, KCNH3, KCND2 CXCR4 1043/4885POLB 330/4885TLR8 3348/4885

“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.