SCHEMBL2814367

SCHEMBL2814367

COc1ccc(CN2CCC3NN(C)c4nc(NCCc5cccnc5)nc2c43)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.41
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
PTGDR Q13258 2/20 0.37
C3AR1 Q16581 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
ROCK2 O75116 2/20 0.36
PTAFR P25105 2/20 0.35
CYP3A4 P08684 2/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL2809660 0.93 ALDH1A1 (0.42) OGAFPR1FPR2KMT2AALDH1A1
SCHEMBL2814492 0.91 TSHR (0.37) PTGDRKMT2AALDH1A1MEN1CYP3A4
SCHEMBL2813950 0.90 OGA (0.40) OGAFPR1FPR2PTGDRC3AR1
SCHEMBL2812459 0.88 HRH3 (0.39) KMT2AMEN1
SCHEMBL2809955 0.87 MAPT (0.37) PTGDRKMT2AALDH1A1MEN1ROCK2
SCHEMBL2810912 0.87 ADORA3 (0.42) KMT2AALDH1A1MEN1CYP3A4KDM4E
SCHEMBL2809538 0.86 EHMT2 (0.41) KMT2AALDH1A1MEN1CYP3A4DRD4
SCHEMBL2810452 0.85 NR1I3 (0.38) KMT2AMEN1CYP3A4
SCHEMBL2812798 0.84 ACHE (0.46) KMT2AMEN1
SCHEMBL2811710 0.83 TUBB4A (0.43) FPR1FPR2KMT2AALDH1A1MEN1

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 3938/4885FPR1 1039/4885FPR2 1346/4885

“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.