SCHEMBL4876602

SCHEMBL4876602

CC(C)c1nc(N)ccc1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
HTT P42858 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TDO2 P48775 1/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 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
SCHEMBL798061 0.78 KDM4E (0.50) KDM4EHTTNPC1RAB9AGLA
SCHEMBL29495934 0.74 HTR2A (0.44) KDM4EHTTNPC1RAB9AMAPT
SCHEMBL22969604 0.74 HTR2A (0.44) KDM4EHTTNPC1RAB9AMAPT
SCHEMBL11069039 0.71 ADORA2B (0.42) NPC1RAB9AMAPTLMNACYP1A2
SCHEMBL26097473 0.70 TGFBR1 (0.48) KDM4EHTTNPC1RAB9AGLA
SCHEMBL21223652 0.70 APP (0.46) KDM4ELMNATDP1SMN1; SMN2HSP90AA1
SCHEMBL819951 0.69 KDM4E (0.56) KDM4EHTTNPC1RAB9AGLA
SCHEMBL29450625 0.69 KDM4E (0.56) KDM4EHTTNPC1RAB9AGLA
SCHEMBL19902075 0.69 HTT (0.44) KDM4EHTTNPC1RAB9AGLA
SCHEMBL8227726 0.68 KDM4E (0.50) KDM4EHTTNPC1RAB9AGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 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-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C KDM4E 2577/4885HTT 957/4885NPC1 2032/4885

“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.