SCHEMBL7034736

SCHEMBL7034736

CC1(C)CNc2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 3/20 0.34
PDK2 Q15119 3/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CIT O14578 1/20 0.32
MAP3K7 O43318 1/20 0.32
RIPK2 O43353 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
YES1 P07947 1/20 0.32
LYN P07948 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
SCHEMBL12127681 0.81 PDK2 (0.39) GSK3BNPC1CYP1A2PDK2CYP2C19
SCHEMBL31212132 0.76 OTUD7B (0.40) GSK3BCYP1A2PDK2CYP2C19KMT2A
SCHEMBL18181144 0.76 OTUD7B (0.40) GSK3BCYP1A2PDK2CYP2C19KMT2A
SCHEMBL7031624 0.76 CYP1A2 (0.41) GSK3BCYP1A2PDK2CYP2C19KMT2A
SCHEMBL20808324 0.74 GSK3B (0.41) GSK3BNPC1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL25275576 0.73 MAP4K1 (0.38) GSK3BCYP1A2PDK2SMN1; SMN2MAP4K1
SCHEMBL31456439 0.73 MAP4K1 (0.38) GSK3BCYP1A2PDK2SMN1; SMN2MAP4K1
SCHEMBL26167986 0.73 MAP4K1 (0.38) GSK3BCYP1A2PDK2SMN1; SMN2MAP4K1
SCHEMBL29386972 0.73 MAP4K1 (0.38) GSK3BCYP1A2PDK2SMN1; SMN2MAP4K1
SCHEMBL19664227 0.72 GSK3B (0.38) GSK3BNPC1CYP1A2PDK2CYP2C19

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295945-B1 Negative silver halide photographic light-sensitive material capable of being handled in light room KONISHIROKU PHOTO IND (JP) 1995-02-08 EP claimed
EP-0295945-A2 Negative silver halide photographic light-sensitive material capable of being handled in light room KONICA CORPORATION (JP) 1988-12-21 EP claimed
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. 2022-12-08 US disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
US-10669242-B2 Clostridium difficile toxin inhibitors Venenum Biodesign, LLC (US) 2020-06-02 US disclosed
US-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors Venenum Biodesign, LLC (US) 2019-06-27 US disclosed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-4081279-A Photothermographic materials containing radiation sensitive quinone compounds and nitrobenzylidene dyes EASTMAN KODAK COMPANY (US) 1978-03-28 US disclosed
US-4075017-A Photothermographic material containing a combination of energy-sensitive organic dyes and process of forming a positive or negative image with the material EASTMAN KODAK COMPANY (US) 1978-02-21 US disclosed
US-4035190-A 2-ISOXAZOLIN-3-HETEROCYCLIC-SUBSTITUTED MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-07-12 US disclosed
US-4028113-A Photographic supports and elements utilizing photobleachable O-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1977-06-07 US disclosed
US-4025347-A Fogged direct-positive silver halide emulsion containing a cyanine dye having an indole or indolenine nucleus substituted with a benzoyl or a phenylsulfonyl group MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1977-05-24 US disclosed
US-RE29168-E HEAT SENSITIVE, ANTIHALATION LAYER EASTMAN KODAK COMPANY (US) 1977-04-05 US disclosed
US-3988154-A Photographic supports and elements utilizing photobleachable omicron-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-26 US disclosed
US-3988156-A Photographic supports and elements utilizing photobleachable o-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-26 US disclosed
US-3984248-A Photographic polymeric film supports containing photobleachable o-nitroarylidene dyes EASTMAN KODAK COMPANY (US) 1976-10-05 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 (3 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-20190194147-A1 Novel Clostridium Difficile Toxin Inhibitors GABRA5, GABRA1, GABRA4 GSK3B 52/4885NPC1 1331/4885CYP1A2 206/4885
US-20220387395-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION CBLB, CBL, CBLC GSK3B 315/4885NPC1 2744/4885CYP1A2 3595/4885
US-10669242-B2 Clostridium difficile toxin inhibitors GABRA5, GABRA1, GABBR2 GSK3B 49/4885NPC1 1353/4885CYP1A2 113/4885

“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.