SCHEMBL2812428

SCHEMBL2812428

Clc1ccc(CNc2nc3c4c(n[nH]c4n2)CCN3c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
CLPP Q16740 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.38
METAP2 P50579 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NTRK1 P04629 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 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
SCHEMBL538612 0.92 HTT (0.41) APPCLPPHTTPTGS2LMNA
SCHEMBL2812318 0.86 MEN1 (0.41) CLPPHTTACHEMETAP2MEN1
SCHEMBL537678 0.84 HRH4 (0.42) APPMRGPRX1KDM4EALDH1A1GAA
SCHEMBL2809667 0.83 LTA4H (0.41) MEN1NPC1KMT2ALMNAKDM4E
SCHEMBL2810436 0.82 GRK6 (0.40) MRGPRX1
SCHEMBL13131723 0.79 HTR7 (0.39) HTTLMNAALDH1A1
SCHEMBL2812926 0.79 KDM4E (0.38) APPL3MBTL1HTTACHEMEN1
SCHEMBL2811941 0.79 CLPP (0.41) CLPPHTTKMT2ALMNAKDM4E
SCHEMBL2814646 0.78 MEN1 (0.51) ACHEMEN1KMT2ALMNA
SCHEMBL2810525 0.78 MRGPRX1 (0.49) CLPPMRGPRX1MEN1KMT2A

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 7 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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 APP 3167/4885CLPP 2832/4885L3MBTL1 4501/4885

“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.