SCHEMBL2812207

SCHEMBL2812207

c1ccc(CN2CCc3n[nH]c4nc(NCCc5cccnc5)nc2c34)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
OGA O60502 1/20 0.40
TYRO3 Q06418 1/20 0.39
PIK3CA P42336 3/20 0.38
ROCK1 Q13464 1/20 0.38
RAD52 P43351 2/20 0.37
PKM P14618 1/20 0.37
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
GBA1 P04062 1/20 0.36
STAT6 P42226 1/20 0.36
MAPK1 P28482 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
SCHEMBL2810281 0.92 LTA4H (0.41) MKNK1MKNK2RAD52PKMSTAT6
SCHEMBL2808422 0.87 MRGPRX1 (0.40) MKNK1MKNK2OGAROCK1HRH1
SCHEMBL2810525 0.87 MRGPRX1 (0.49) HRH1HRH4
SCHEMBL2813867 0.86 CLPP (0.40) HRH1HRH4
SCHEMBL2816666 0.86 KDM4E (0.41) OGAROCK1HRH1HRH4
SCHEMBL14405859 0.86 HRH4 (0.41) HRH1HRH4
SCHEMBL2812914 0.85 CLPP (0.40) IGF1RHRH1HRH4
SCHEMBL2816727 0.85 OGA (0.39) OGATYRO3PIK3CAIGF1RFGFR1
SCHEMBL2811941 0.85 CLPP (0.41) HRH1HRH4STAT6
SCHEMBL2812078 0.84 CLPP (0.40) HRH1HRH4

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 MKNK1 1013/4885MKNK2 1176/4885OGA 3938/4885

“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.