SCHEMBL2809671

SCHEMBL2809671

c1ccc(N2CCC3NNc4nc(NCc5cccnc5)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
VNN1 O95497 4/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
RAD52 P43351 1/20 0.37
HSD17B10 Q99714 1/20 0.36
VCP P55072 1/20 0.36

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
SCHEMBL538613 0.91 POLB (0.38) ALDH1A1
SCHEMBL2810284 0.86 OGA (0.40) OGALTA4HGPR84VNN1MKNK1
SCHEMBL537679 0.85 OGA (0.40) OGA
SCHEMBL2812432 0.84 APP (0.40)
SCHEMBL2812321 0.80 ACHE (0.38) KDM4EALDH1A1VCP
SCHEMBL2812211 0.80 OGA (0.43) OGAMKNK1MKNK2
SCHEMBL2812443 0.79 PKM (0.42) OGALTA4HKDM4EALDH1A1GPR84
SCHEMBL2810442 0.79 HTR7 (0.38) OGA
SCHEMBL2812923 0.79 ESR2 (0.47)
SCHEMBL2816659 0.78 ALDH1A1 (0.41) OGAKDM4EALDH1A1VNN1

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 OGA 3938/4885LTA4H 2935/4885KDM4E 2749/4885

“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.