SCHEMBL16201671

SCHEMBL16201671

CC(C)c1c2n(c3ccccc13)C(=O)CN(C)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 4/20 0.34
PRKCG P05129 3/20 0.34
PRKCA P17252 3/20 0.34
PRKCE Q02156 3/20 0.34
PRKCD Q05655 3/20 0.34
PRKD3 O94806 2/20 0.34
PRKCH P24723 2/20 0.34
PRKCI P41743 2/20 0.34
PRKCQ Q04759 2/20 0.34
PRKCZ Q05513 2/20 0.34
PRKD1 Q15139 2/20 0.34
GAA P10253 4/20 0.33
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
GSK3B P49841 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL16201633 0.78 TLR8 (0.38) CYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL16201635 0.74
SCHEMBL16201627 0.73 CHRNA7 (0.37) PRKCBPRKCGPRKCAPRKCEPRKCD
SCHEMBL7376810 0.73 BRD4 (0.40) PRKCBPRKCGPRKCAPRKCEPRKCD
SCHEMBL16201631 0.73 MTNR1A (0.45) GAACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL16201625 0.70 LMNA (0.31) PRKCBPRKCGPRKCAPRKCEPRKCD
SCHEMBL16201659 0.68 POLB (0.40) PRKCBPRKCGPRKCAPRKCEPRKCD
SCHEMBL16201626 0.67 TSHR (0.44) PRKCBPRKCGPRKCAPRKCEPRKCD
SCHEMBL16201666 0.66 CYP1A2 (0.43) GAACYP1A2CYP2D6KDM4EALDH1A1
SCHEMBL17616023 0.65 GPR3 (0.52) GAAMGAMSIMGAM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345905-B2 Heterocyclic amides compounds which are HDAC6 inhibitors and used as anti-tumoral agents NANJING ALLGEN PHARMA CO. LTD. (CN) 2016-05-24 US disclosed
US-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS BETA PHARMA CANADA INC. (CA) 2014-10-30 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 (1 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-20140322229-A1 HETEROCYCLIC AMIDES COMPOUNDS WHICH ARE HDAC6 INHIBITORS AND USED AS ANTI-TUMORAL AGENTS HDAC6, HDAC1, HDAC7 PRKCB 3163/4885PRKCG 3518/4885PRKCA 3019/4885

“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.