SCHEMBL19700808

SCHEMBL19700808

CC(C)Nc1ncnc2c1cnn2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.62
TP53 P04637 6/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
HSD17B10 Q99714 5/20 0.61
HPGD P15428 4/20 0.61
LMNA P02545 4/20 0.61
TSHR P16473 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HTT P42858 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
HAVCR2 Q8TDQ0 1/20 0.56
MAPT P10636 2/20 0.56
PIP4K2A P48426 1/20 0.54
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53

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
SCHEMBL11616554 0.84 KDM4E (0.59) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL19700811 0.81 KDR (0.69) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL29854071 0.81 KDM4E (0.68) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL11616495 0.79 KDM4E (0.66) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL1520436 0.78 KDM4E (0.64) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL18499432 0.75 KDM4E (0.60) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL18499450 0.75 KDM4E (0.74) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL18499444 0.75 KDM4E (0.60) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL15214873 0.75 TP53 (0.79) KDM4ETP53SMN1; SMN2NPC1RAB9A
SCHEMBL29487079 0.74 BCDIN3D (0.53) KDM4ERAB9AALDH1A1KMT2AMEN1

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-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 US disclosed
US-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS NORTHERN ILLINOIS RESEARCH FOUNDATION 2017-12-14 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-20170355700-A1 PYRAZOLOPYRIMIDINE ANTIBACTERIAL AGENTS DHPS, FDPS, IMPDH1 KDM4E 1149/4885TP53 4401/4885SMN1; SMN2 3851/4885

“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.