SCHEMBL3130113

SCHEMBL3130113

c1ccc(N(c2ncc3nc[nH]c3n2)N2CCNCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM1A O60341 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2D6 P10635 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR2A P28223 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCF1 P14598 4/20 0.32
ADRB1 P08588 2/20 0.32
ADRB2 P07550 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 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
SCHEMBL3128313 0.89 KDM1A (0.33) KDM1ATSHRKDM4ETP53SMN1; SMN2
SCHEMBL3131793 0.87 CHEK1 (0.35) KDM1AMAPTTSHRKDM4ESMN1; SMN2
SCHEMBL3131475 0.82 SPAST (0.33) CYP1A2CYP3A4CYP2D6MAPTTSHR
SCHEMBL4560014 0.75 PLD1 (0.46) HTR2AKDM4ENCF1ADRB1ADRB2
SCHEMBL3120089 0.75 FLT3 (0.32) TP53ALDH1A1KMT2AMEN1
SCHEMBL2044428 0.72 HRH4 (0.40) HTR6CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4976430 0.71 ADRB2 (0.46) CYP1A2CYP3A4CYP2D6MAPTCYP2C19
SCHEMBL5553426 0.71 HRH4 (0.44) MAPTTSHRSMN1; SMN2NCF1ADRB1
SCHEMBL3131842 0.68 TAAR1 (0.35) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3129018 0.68 TAAR1 (0.35) MAPTKDM4ESMN1; SMN2ALDH1A1HPGD

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 HTR6 1889/4885CHRNB2 4805/4885CHRNA4 4470/4885

“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.