SCHEMBL423890

SCHEMBL423890

COCCCNc1nc(OCCN2CCOCC2)nc(C(=O)Nc2ccc3[nH]c(C)c(C)c3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRM4 Q14833 3/20 0.40
EIF2AK2 P19525 1/20 0.39
MERTK Q12866 1/20 0.39
MAPK14 Q16539 2/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 2/20 0.38
QPCT Q16769 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL1602906 0.84 GRM4 (0.39) KDM4EALDH1A1HPGDRAB9AHSD17B10
SCHEMBL13759272 0.81 GRM4 (0.39) KDM4EALDH1A1HPGDGRM4KMT2A
SCHEMBL13759370 0.79 GRM4 (0.43) KDM4EALDH1A1GRM4EIF2AK2MAPK14
SCHEMBL427140 0.78 GRM4 (0.45) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL430538 0.77 GRM4 (0.43) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL430839 0.76 GRM4 (0.42) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL427601 0.76 RAF1 (0.47) MAPK14KMT2AMAPT
SCHEMBL425505 0.76 GRM4 (0.45) KDM4EALDH1A1CYP3A4GLAGAA
SCHEMBL431018 0.75 GRM4 (0.46) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL425180 0.75 AURKA (0.42) KDM4EALDH1A1HPGDHSD17B10GRM4

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-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 KDM4E 3825/4885ALDH1A1 1903/4885CYP3A4 2294/4885

“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.