SCHEMBL2810281

SCHEMBL2810281

c1ccc(CN2CCc3n[nH]c4nc(NCc5cccnc5)nc2c34)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
RAD52 P43351 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
STAT6 P42226 1/20 0.38
DHPS P49366 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
SCHEMBL2812207 0.92 MKNK1 (0.42) MKNK1MKNK2RAD52PKMMAPK1
SCHEMBL2811941 0.90 CLPP (0.41) KDM4EALDH1A1STAT6
SCHEMBL2816650 0.90 ALDH1A1 (0.43) PKMKDM4EALDH1A1
SCHEMBL2809667 0.86 LTA4H (0.41) LTA4HMKNK1MKNK2GPR84RAD52
SCHEMBL2812298 0.85 CLPP (0.38) KDM4EALDH1A1STAT6
SCHEMBL538311 0.84 ALDH1A1 (0.42) PKMKDM4EALDH1A1
SCHEMBL2814510 0.84 KDM4E (0.36) KDM4EALDH1A1STAT6
SCHEMBL13131478 0.83 CLPP (0.39) KDM4EALDH1A1
SCHEMBL537893 0.82 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1
SCHEMBL2808367 0.82 CASP1 (0.48) KDM4EALDH1A1MAPK1

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 6 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 LTA4H 2935/4885MKNK1 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.