SCHEMBL18418890

SCHEMBL18418890

CCc1nn(C2CCCCO2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ PDE8B O95263 5/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RET P07949 4/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADCY1 Q08828 1/20 0.32
▸ PI4K2B Q8TCG2 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
SCHEMBL1475184 0.83 ALDH1A1 (0.36) GAAPDE8BALDH1A1POLBKDM5B
SCHEMBL29339901 0.83 KDM5B (0.33) GAAPDE8BKDM5BCYP2C19ABL1
SCHEMBL26686143 0.81 GAA (0.44) GAAPDE8BALDH1A1LMNAPOLB
SCHEMBL30376074 0.78 KDM5B (0.36) GAAPDE8BALDH1A1LMNAPOLB
SCHEMBL18421834 0.78 ALDH1A1 (0.33) GAAALDH1A1KDM5BCYP2C19TP53
SCHEMBL11913135 0.76 ABL1 (0.33) GAAALDH1A1CYP2C19MEN1KMT2A
SCHEMBL1476580 0.76 — —
SCHEMBL23457143 0.75 ELANE (0.39) GAAALDH1A1LMNACYP2C19TP53
SCHEMBL18209661 0.74 ALDH1A1 (0.34) GAAALDH1A1LMNAPOLBKDM5B
SCHEMBL14313780 0.74 ALDH1A1 (0.40) GAAALDH1A1LMNAPOLBKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 — — US disclosed
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2020-11-10 — — US disclosed
WO-2017019804-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-02-02 — — WO disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 — — US disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 — — US disclosed
US-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-02-02 — — US disclosed
WO-2017019804-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-02-02 — — WO 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-20170029413-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, PRKAR2B, MAP3K13 GAA 3244/4885PDE8B 395/4885ALDH1A1 4034/4885
US-10829484-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, PRKAR2B, MAP3K13 GAA 3244/4885PDE8B 395/4885ALDH1A1 4034/4885

“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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