SCHEMBL2812432

SCHEMBL2812432

Clc1ccc(CNc2nc3c4c(n2)N(c2ccccc2)CCC4NN3)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
ACHE P22303 4/20 0.38
BACE1 P56817 3/20 0.38
METAP2 P50579 1/20 0.36
CETP P11597 1/20 0.36
BCHE P06276 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL538613 0.93 POLB (0.38) APPMEN1KMT2AHTT
SCHEMBL2812321 0.86 ACHE (0.38) ACHEBACE1METAP2MEN1KMT2A
SCHEMBL537679 0.85 OGA (0.40) APPMRGPRX1CETP
SCHEMBL2809671 0.84 OGA (0.40)
SCHEMBL2812923 0.82 ESR2 (0.47) MRGPRX1
SCHEMBL2810442 0.82 HTR7 (0.38) MRGPRX1CETP
SCHEMBL2811945 0.80 ACHE (0.38) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL2810531 0.80 MRGPRX1 (0.48) MRGPRX1CETPMEN1KMT2A
SCHEMBL2812302 0.78 ACHE (0.37) ACHEBACE1MEN1KMT2AHTT
SCHEMBL2814652 0.78 MEN1 (0.48) ACHEBACE1MEN1KMT2AL3MBTL1

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 APP 3167/4885MRGPRX1 2755/4885ACHE 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.