SCHEMBL84363

SCHEMBL84363

CC(C)c1cnc(N)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.36
DHFR P00374 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
MAP3K12 Q12852 2/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL10028338 0.78 ALDH1A1 (0.41)
SCHEMBL15471948 0.78 HTT (0.42) DHFRNOS3NOS1NOS2P2RX3
SCHEMBL15599174 0.77 KMT2A (0.34)
SCHEMBL17953260 0.77 GABRA1 (0.38) DHFRNOS3NOS1NOS2P2RX3
SCHEMBL12144347 0.77 CHRNB2 (0.40)
SCHEMBL29910000 0.77 GABRA1 (0.38) DHFRNOS3NOS1NOS2P2RX3
SCHEMBL84407 0.77 NOS3 (0.56) CPB2DHFRNOS3NOS1NOS2
SCHEMBL14558312 0.75 SMN1; SMN2 (0.37)
SCHEMBL21206568 0.75 HTT (0.54) DHFRNOS3NOS1NOS2P2RX3
SCHEMBL84409 0.75 ALDH1A1 (0.44) DHFRNOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198699-B2 Compounds targeting PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
WO-2020205867-A1 COMPOUNDS TARGETING PRMT5 ALIGOS THERAPEUTICS, INC. (US) 2020-10-08 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
US-20170369510-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-28 US disclosed
US-20170362180-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-21 US disclosed
US-20150005287-A2 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-01 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-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 (7 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-20170362180-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 CPB2 3703/4885DHFR 1005/4885NOS3 2932/4885
US-11198699-B2 Compounds targeting PRMT5 PRMT5, PRMT1, PRMT6 CPB2 3345/4885DHFR 2140/4885NOS3 1631/4885
US-20150005287-A2 QUINOLONE COMPOUND HAX1, NQO2, VIP CPB2 3700/4885DHFR 1049/4885NOS3 3011/4885
US-20170369510-A1 TRICYCLIC DLK INHIBITORS AND USES THEREOF NLK, DCLK2, DLK1 CPB2 3233/4885DHFR 812/4885NOS3 2827/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 CPB2 3757/4885DHFR 913/4885NOS3 3025/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CPB2 3193/4885DHFR 334/4885NOS3 4589/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CPB2 4026/4885DHFR 756/4885NOS3 4072/4885

“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.