SCHEMBL3131475

SCHEMBL3131475

CC1CNCCN1N(c1ccccc1)c1ncc2nc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPAST Q9UBP0 1/20 0.33
PRKD3 O94806 2/20 0.32
PRKCG P05129 2/20 0.32
PRKCB P05771 2/20 0.32
PRKCA P17252 2/20 0.32
PRKACA P17612 2/20 0.32
PRKACG P22612 2/20 0.32
PRKACB P22694 2/20 0.32
PRKCH P24723 2/20 0.32
PRKCI P41743 2/20 0.32
PRKCE Q02156 2/20 0.32
PRKCQ Q04759 2/20 0.32
PRKCZ Q05513 2/20 0.32
PRKCD Q05655 2/20 0.32
PRKD1 Q15139 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL2044430 0.84 SLC6A2 (0.39) SPASTPRKD3PRKCGPRKCBPRKCA
SCHEMBL3130113 0.82 HTR6 (0.34) SMN1; SMN2TP53CYP3A4CYP2D6HSD17B10
SCHEMBL3120089 0.77 FLT3 (0.32) TP53MEN1KMT2AALDH1A1
SCHEMBL3128313 0.76 KDM1A (0.33) SMN1; SMN2TP53HSD17B10MEN1TSHR
SCHEMBL5132646 0.75 PKM (0.37) SPASTPRKD3PRKCGPRKCBPRKCA
SCHEMBL3131793 0.74 CHEK1 (0.35) SMN1; SMN2HSD17B10ALOX15TSHRMAPK1
SCHEMBL28284328 0.68 PRKD3 (0.43) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL18009416 0.67 HTR2C (0.44) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL3131842 0.66 TAAR1 (0.35) SMN1; SMN2HSD17B10MAPK1KMT2AHTT
SCHEMBL3129018 0.66 TAAR1 (0.35) SMN1; SMN2HSD17B10HTTALDH1A1KDM4E

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 SPAST 4209/4885PRKD3 28/4885PRKCG 626/4885

“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.