SCHEMBL3128302

SCHEMBL3128302

c1ccc(Nc2nc(N3CCCCC3)nc3[nH]cnc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
SRC P12931 2/20 0.53
LMNA P02545 1/20 0.52
TAAR1 Q96RJ0 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
GALR2 O43603 3/20 0.44
GALR1 P47211 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
KHK P50053 1/20 0.43
POLB P06746 1/20 0.43
GBA1 P04062 1/20 0.43
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL3130094 0.89 POLB (0.58) SRCALDH1A1KMT2AHTR2AKHK
SCHEMBL3131779 0.88 SRC (0.69) SRCLMNAHTR2APOLB
SCHEMBL3120081 0.82 CDK1 (0.43) NPSR1SRCLMNATAAR1GAA
SCHEMBL13303605 0.78 SYK (0.61) SRC
SCHEMBL30677276 0.77 SRC (0.56) SRCLMNAHTR2AHTR2C
SCHEMBL3131464 0.76 ROCK2 (0.46) SRCKMT2AHTR2CKHKPOLB
SCHEMBL459413 0.75 IGF1R (0.51) SRCGAAKMT2AMAPTADORA3
SCHEMBL3642979 0.74 HRH4 (0.75) NPSR1LMNAALDH1A1GAAKMT2A
SCHEMBL183094 0.74 POLB (0.57) NPSR1LMNAALDH1A1GAAKMT2A
SCHEMBL16146743 0.74 CDK2 (0.40) NPSR1SRCLMNAALDH1A1GAA

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 NPSR1 2829/4885SRC 1007/4885LMNA 4233/4885

“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.