SCHEMBL19861999

SCHEMBL19861999

CC(C)(C)c1nccnc1-c1cn[nH]c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
AKT1 P31749 2/20 0.37
AKT2 P31751 1/20 0.37
PIM1 P11309 4/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
GRM4 Q14833 2/20 0.35
GRM8 O00222 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35

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
SCHEMBL16643958 0.76 AKT1 (0.43) MAPK8AURKAAURKBINCENPTPX2
SCHEMBL21193333 0.76 KCNH2 (0.41) MAPK8AURKAAURKBINCENPTPX2
SCHEMBL19240310 0.72 AKT2 (0.41) MAPK8AURKAAURKBINCENPTPX2
SCHEMBL21834045 0.72 AKT2 (0.41) MAPK8AURKAAURKBINCENPTPX2
SCHEMBL30291111 0.72 AKT1 (0.41) MAPK8AURKAAURKBINCENPTPX2
SCHEMBL15306561 0.71 MAPK1 (0.44) MAPK8AKT1AKT2PIM1PIM3
SCHEMBL14124516 0.71 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL11916016 0.70 MAPK1 (0.36) AKT1AKT2PIM1PIM3PIM2
SCHEMBL17718296 0.70 MAPK1 (0.43) MAPK8AKT1AKT2PIM1PIM3
SCHEMBL22962828 0.68 PGK1 (0.40) AURKAAKT1AKT2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 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-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 MAPK8 70/4885AURKA 546/4885AURKB 459/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MAPK8 113/4885AURKA 523/4885AURKB 414/4885

“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.