SCHEMBL538613

SCHEMBL538613

c1ccc(CNc2nc3c4c(n2)N(c2ccccc2)CCC4NN3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
HRH4 Q9H3N8 5/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
APP P05067 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH1 P35367 2/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ROCK2 O75116 1/20 0.34
KCNH3 Q9ULD8 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2812432 0.93 APP (0.40) MEN1KMT2AHTTAPP
SCHEMBL537679 0.91 OGA (0.40) HRH4ADORA2AADORA1APPHRH1
SCHEMBL2809671 0.91 OGA (0.40) ALDH1A1
SCHEMBL2812321 0.86 ACHE (0.38) ALDH1A1MEN1KMT2AHTTHRH4
SCHEMBL2812923 0.85 ESR2 (0.47) ADORA2AADORA1
SCHEMBL2810442 0.85 HTR7 (0.38) ADORA1
SCHEMBL2811945 0.84 ACHE (0.38) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL2814652 0.82 MEN1 (0.48) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL2810595 0.81 NPY5R (0.37) SMN1; SMN2HTTADORA2AGAAPTGS2
SCHEMBL2812302 0.80 ACHE (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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
US-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
EP-2414359-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-02-08 EP 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

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 POLB 345/4885ALDH1A1 924/4885MEN1 1767/4885

“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.