SCHEMBL2808281

SCHEMBL2808281

CC(C)Nc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.40
APP P05067 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
KCNH3 Q9ULD8 2/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRS3 P32247 1/20 0.32
FKBP1A P62942 1/20 0.31
STAT6 P42226 1/20 0.31

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
SCHEMBL2812980 0.92 ALDH1A1 (0.34) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2813713 0.88 IDH1 (0.36) MAPK1ALDH1A1KDM4EMEN1HPGD
SCHEMBL2814454 0.88 IDH1 (0.36) MAPK1ALDH1A1KDM4EMEN1HPGD
SCHEMBL2812997 0.86 FLT3 (0.36) MAPK1ALDH1A1TP53ALOX15GAA
SCHEMBL2811945 0.86 ACHE (0.38) BCHEACHEALDH1A1MEN1KMT2A
SCHEMBL2809576 0.85 ROCK2 (0.37) MAPK1APPBCHEACHE
SCHEMBL2812252 0.83 CSNK2A1 (0.36) APPACHEALDH1A1GAAKDM4E
SCHEMBL537894 0.83 ALDH1A1 (0.38) MAPK1KCNH3ALDH1A1TP53KDM4E
SCHEMBL2809589 0.83 CSNK2A1 (0.36) APPACHEALDH1A1GAAKDM4E
SCHEMBL2812302 0.82 ACHE (0.37) MAPK1ACHEALDH1A1NPSR1KDM4E

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 MAPK1 1997/4885APP 3167/4885BCHE 4134/4885

“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.