SCHEMBL2812997

SCHEMBL2812997

CC(O)CNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.36
CDK2 P24941 3/20 0.36
CDK1 P06493 2/20 0.36
GBA1 P04062 1/20 0.34
IDH2 P48735 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31
ESR1 P03372 1/20 0.31
CCNE1 P24864 1/20 0.30
CDK9 P50750 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2813735 0.90 CTSS (0.39) CDK1MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2811945 0.87 ACHE (0.38) MEN1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2808281 0.86 MAPK1 (0.40) MEN1ALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL2812980 0.84 ALDH1A1 (0.34) CDK2MEN1ALDH1A1KMT2AKDM4E
SCHEMBL537894 0.83 ALDH1A1 (0.38) FLT3ALDH1A1SMN1; SMN2TP53KDM4E
SCHEMBL2812302 0.82 ACHE (0.37) CDK2MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2810360 0.82 HDAC3 (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2814798 0.82 SIGMAR1 (0.40)
SCHEMBL2812252 0.82 CSNK2A1 (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2809589 0.82 CSNK2A1 (0.36) MEN1ALDH1A1KMT2ASMN1; SMN2KDM4E

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 FLT3 124/4885CDK2 8/4885CDK1 41/4885

“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.