SCHEMBL84404

SCHEMBL84404

CC(C)c1cncc(N(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CHRM5 P08912 1/20 0.34
▸ CHKA P35790 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ EGFR P00533 2/20 0.32
▸ ALOX15 P16050 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TERT O14746 1/20 0.30
▸ APP P05067 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL725480 0.78 PRMT5 (0.34) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL14041833 0.78 CHRNB2 (0.37) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL13436334 0.77 CHRNB2 (0.32) KDM4ENOS3NOS1CYP3A4
SCHEMBL12147009 0.77 PIK3C3 (0.42) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28361799 0.76 PRMT5 (0.33) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL18999636 0.74 TSHR (0.39) KDM4EALDH1A1MEN1KMT2ACHRM5
SCHEMBL798755 0.70 HCAR2 (0.40) KDM4ENOS3NOS1
SCHEMBL7672406 0.70 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ACHRM5
SCHEMBL13086634 0.70 INPPL1 (0.43) KDM4EALDH1A1ALOX15HSD17B10APP
SCHEMBL10141639 0.69 CHRNB2 (0.44) ALDH1A1GAAALOX15TSHRHSD17B10

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
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 — — US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 — — US disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 — — US disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 — — US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 — — 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 (4 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 KDM4E 2705/4885ALDH1A1 2482/4885MEN1 2132/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KDM4E 3041/4885ALDH1A1 3257/4885MEN1 1271/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4E 2526/4885ALDH1A1 2358/4885MEN1 1671/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 KDM4E 33/4885ALDH1A1 2705/4885MEN1 1238/4885

“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.

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