SCHEMBL2809509

SCHEMBL2809509

O=C1CCCN1CCCNc1nc2c3c(n1)N(Cc1ccccc1)CCC3NN2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 6/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
ADORA1 P30542 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
BTK Q06187 1/20 0.39
ACHE P22303 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL537948 0.87 KDM1A (0.46) MKNK1
SCHEMBL537894 0.84 ALDH1A1 (0.38) TYRO3KDM4EALDH1A1LMNAHSD17B10
SCHEMBL2814505 0.83 KDM1A (0.46) TYRO3KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL2811945 0.81 ACHE (0.38) ACHEKMT2AALDH1A1LMNA
SCHEMBL2812003 0.81 KDM1A (0.47)
SCHEMBL2816638 0.81 LMNA (0.39) ACHEKMT2ALMNA
SCHEMBL2814891 0.80 HRH2 (0.41)
SCHEMBL2814730 0.80 TYRO3 (0.44) TYRO3KMT2AKDM4EALDH1A1HPGD
SCHEMBL2810360 0.79 HDAC3 (0.36) ADORA1KMT2AKDM4EALDH1A1HPGD
SCHEMBL2812174 0.79 LMNA (0.51) KMT2AKDM4EALDH1A1LMNAHPGD

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 TYRO3 1572/4885MKNK1 1013/4885MKNK2 1176/4885

“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.