SCHEMBL3129018

SCHEMBL3129018

CCN(CC)N(c1ccccc1)c1ncc2nc[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.35
MAPT P10636 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
IP6K1 Q92551 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8826213 0.75 TDP1 (0.40) TAAR1MAPTALDH1A1KDM4EGLA
SCHEMBL3131842 0.74 TAAR1 (0.35) TAAR1MAPTNPSR1ALDH1A1SMN1; SMN2
SCHEMBL3124869 0.73 TSHR (0.34) TAAR1MAPTALDH1A1SMN1; SMN2KDM4E
Butane SCHEMBL10551688 0.71 CYP1A2 (0.36) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL1445582 0.70 HSD17B10 (0.40) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL3128313 0.69 KDM1A (0.33) ALDH1A1SMN1; SMN2KDM4EGLAGAA
SCHEMBL3130113 0.68 HTR6 (0.34) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL3131793 0.68 CHEK1 (0.35) MAPTALDH1A1SMN1; SMN2KDM4EGLA
SCHEMBL1685257 0.67 TSHR (0.46) MAPTCRHBPCRHR2NPSR1ALDH1A1
SCHEMBL5062914 0.67 KDM4E (0.32) ALDH1A1SMN1; SMN2KDM4EGLAGAA

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 TAAR1 1858/4885MAPT 4689/4885CRHBP 4588/4885

“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.