SCHEMBL537813

SCHEMBL537813

O=C(NCc1ccccc1)C1CN(Cc2ccccc2)c2nc(NCCc3c[nH]c4ccccc34)nc3c2C1NN3

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.52
BCHE P06276 5/20 0.46
ACHE P22303 5/20 0.46
HTR1A P08908 3/20 0.43
GPR18 Q14330 1/20 0.41
OPRM1 P35372 1/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
MTNR1A P48039 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL2815946 0.84 MC4R (0.44) MC4R
SCHEMBL2811933 0.83 CACNA1G (0.41) MC4R
SCHEMBL2812136 0.83 POLB (0.41) MC4R
SCHEMBL538003 0.82 KDM1A (0.40)
SCHEMBL2808454 0.82 PKM (0.39) KMT2AMEN1PKM
SCHEMBL2812037 0.81 KCNH2 (0.39) MC4RKMT2AMEN1
SCHEMBL2812146 0.81 ALDH1A1 (0.40) MC4RKMT2AMEN1
SCHEMBL538581 0.80 CACNA1G (0.39) MC4RKMT2AMEN1
SCHEMBL2814288 0.80 KMT2A (0.39) OPRM1KMT2AMEN1
SCHEMBL2812187 0.80 HRH3 (0.46) BCHEACHEHTR1AGPR18DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP claimed
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO claimed
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 MC4R 3042/4885BCHE 4134/4885ACHE 4402/4885

“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.