SCHEMBL2813852

SCHEMBL2813852

CN(CCO)c1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAPEPLD Q6IQ20 12/20 0.36
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
NTSR1 P30989 1/20 0.35
CETP P11597 1/20 0.33
KDM1A O60341 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
SLC29A1 Q99808 1/20 0.32
MAOB P27338 1/20 0.32
HTR6 P50406 1/20 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
SCHEMBL2809646 0.91 CETP (0.41) NAPEPLDCETP
SCHEMBL2808574 0.88 SLC29A1 (0.35) NAPEPLDSLC29A1
SCHEMBL2813757 0.82 KDM4E (0.44) KDM1AEHMT2RCOR1
SCHEMBL2813943 0.82 ACHE (0.36)
SCHEMBL2812003 0.78 KDM1A (0.47) KDM1AEHMT2RCOR1
SCHEMBL538443 0.76 TLR7 (0.38)
SCHEMBL2811945 0.75 ACHE (0.38)
SCHEMBL2808281 0.75 MAPK1 (0.40)
SCHEMBL2809502 0.75 HTR6 (0.41) KDM1AEHMT2HTR6
SCHEMBL2809662 0.74 PIK3R1 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 NAPEPLD 1799/4885CTNNB1 1972/4885TCF7L2 2562/4885

“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.