SCHEMBL10034089

SCHEMBL10034089

C(=C/n1ncc2c(NC3CCCCC3)ncnc21)\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 1.00
ABL1 P00519 3/20 1.00
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TP53 P04637 11/20 0.61
LMNA P02545 5/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL6922298 0.94 SRC (1.00) SRCABL1KDM4ENPC1RAB9A
SCHEMBL12935526 0.78 KDM4E (1.00) SRCABL1KDM4ENPC1RAB9A
SCHEMBL3859729 0.73 ABL1 (0.62) SRCABL1KDM4ENPC1RAB9A
SCHEMBL3859724 0.73 ABL1 (0.62) SRCABL1KDM4ENPC1RAB9A
SCHEMBL13057340 0.69 TP53 (0.59) SRCABL1KDM4ENPC1RAB9A
SCHEMBL12914919 0.67 TP53 (0.74) KDM4ENPC1RAB9ATP53LMNA
SCHEMBL27504590 0.67 PDE5A (0.58) KDM4ENPC1RAB9ATP53HSD17B10
SCHEMBL26781483 0.66 TP53 (0.72) KDM4ENPC1RAB9ATP53LMNA
SCHEMBL6922303 0.65 TP53 (0.60) SRCABL1KDM4ENPC1RAB9A
SCHEMBL4772183 0.65 ABL1 (0.51) SRCABL1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022048-A1 Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (SPP) to inhibit immune activation, virus replication and tumor growth LORI FRANCO (US) 2012-01-26 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-20120022048-A1 Anti-proliferative substituted pyrazolo[3,4-d]pyrimidines derivatives (SPP) to inhibit immune activation, virus replication and tumor growth TYMS, TYMP, PCNA SRC 1716/4885ABL1 4284/4885KDM4E 3893/4885

“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.