SCHEMBL20356809

SCHEMBL20356809

CC(C)(C)c1nnc2ccc(S)nn12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SCN5A Q14524 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 2/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XBP1 P17861 1/20 0.34
HPGD P15428 1/20 0.33
MAPK14 Q16539 1/20 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
SCHEMBL12912264 0.79 KDM4E (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6631672 0.78 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12891157 0.75 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8646848 0.74 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL14030430 0.68 MEN1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13248529 0.68 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13248528 0.68 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL903236 0.68 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2SCN5AHTT
SCHEMBL2267586 0.64 ALDH1A1 (0.75) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL12911394 0.63 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A

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-10316044-B2 Chiral diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2019-06-11 US disclosed
US-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2018-07-05 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 (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-20180186813-A1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, DAPK2 ALDH1A1 4607/4885KDM4E 1625/4885SMN1; SMN2 2362/4885
US-10316044-B2 Chiral diaryl macrocycles as modulators of protein kinases LCK, MAP3K20, MAP3K1 ALDH1A1 4146/4885KDM4E 2118/4885SMN1; SMN2 1776/4885

“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.