SCHEMBL3120089

SCHEMBL3120089

OC1CCCCN1N(c1ccccc1)c1ncc2nc[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.32
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
AXL P30530 1/20 0.32
ADORA3 P0DMS8 7/20 0.31
ADORA2A P29274 5/20 0.31
ADORA1 P30542 5/20 0.31
CCR4 P51679 1/20 0.31
MEN1 O00255 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KMT2A Q03164 1/20 0.31
GAS6 Q14393 1/20 0.31
JAK2 O60674 2/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
ALDH1A1 P00352 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 1/20 0.30
TP53 P04637 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
SCHEMBL3128313 0.81 KDM1A (0.33) MEN1KMT2AALDH1A1TP53
SCHEMBL3131475 0.77 SPAST (0.33) MEN1KMT2AALDH1A1TP53
SCHEMBL3130113 0.75 HTR6 (0.34) MEN1KMT2AALDH1A1TP53
SCHEMBL3131793 0.74 CHEK1 (0.35) KMT2AALDH1A1
SCHEMBL3131842 0.66 TAAR1 (0.35) KMT2AALDH1A1
SCHEMBL3129018 0.64 TAAR1 (0.35) ALDH1A1
SCHEMBL3124869 0.63 TSHR (0.34) MEN1KMT2AALDH1A1TP53
SCHEMBL7662487 0.60 PAK1 (0.60) FLT3TYRO3MERTKAXLADORA3
SCHEMBL2044430 0.60 SLC6A2 (0.39) MEN1KMT2AJAK2ALDH1A1JAK1
SCHEMBL1445582 0.60 HSD17B10 (0.40) MEN1KMT2AALDH1A1TP53

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 FLT3 51/4885TYRO3 254/4885MERTK 554/4885

“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.