SCHEMBL20751679

SCHEMBL20751679

C=CNc1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34

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
SCHEMBL19524973 0.85 ACHE (0.43) ALDH1A1TSHRACHEMEN1KMT2A
SCHEMBL23806435 0.85 ALDH1A1 (0.34) CYP1A2CYP2A6ALDH1A1TSHRCA1
SCHEMBL24672833 0.82 MAPK1 (0.43) CYP1A2TSHRCA1CA2L3MBTL1
SCHEMBL7692381 0.79 MEN1 (0.42) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL27577354 0.77 CYP1A2 (0.39) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL22705125 0.75 RAPGEF4 (0.52) ALDH1A1
SCHEMBL429150 0.75 ALDH1A1 (0.42) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL15711479 0.75 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL11915486 0.75 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1TSHRACHE
SCHEMBL10394835 0.75 KEAP1 (0.47) CYP1A2ALDH1A1TSHRL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-13 US disclosed
EP-3444031-A1 HETEROCYCLIC CARBOXYLIC ACID AMIDE LIGAND AND APPLICATIONS THEREOF IN COPPER CATALYZED COUPLING REACTION OF ARYL HALOGENO SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2019-02-20 EP disclosed
CN-104039768-B The method for preparing acetophenone amine 巴斯夫欧洲公司 2017-06-16 CN disclosed
CN-104039768-A PROCESS FOR PREPARING ACETANILIDES BASF SE 2014-09-10 CN 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 (2 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-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP1A2 3570/4885CYP2A6 3140/4885ALDH1A1 2776/4885
US-20230110180-A1 CDK2 DEGRADERS AND USES THEREOF CDK2, CDK20, CDK1 CYP1A2 2027/4885CYP2A6 1135/4885ALDH1A1 3701/4885

“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.