SCHEMBL2811945

SCHEMBL2811945

c1ccc(CNc2nc3c4c(n2)N(Cc2ccccc2)CCC4NN3)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
BACE1 P56817 4/20 0.35
BCHE P06276 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HRH4 Q9H3N8 3/20 0.34
HRH1 P35367 2/20 0.34
HRH2 P25021 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL2812302 0.95 ACHE (0.37) ACHELMNAMEN1ALDH1A1KMT2A
SCHEMBL537584 0.91 ACHE (0.45) ACHEMEN1KMT2ABACE1HRH4
SCHEMBL2810284 0.91 OGA (0.40)
SCHEMBL2814513 0.91 CXCR4 (0.37) ACHELMNAMEN1ALDH1A1KMT2A
SCHEMBL2812972 0.88 SIGMAR1 (0.38) ACHEMEN1KMT2AHTTBACE1
SCHEMBL2814798 0.88 SIGMAR1 (0.40) ACHEBCHE
SCHEMBL2811765 0.88 L3MBTL1 (0.44) LMNAMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2809589 0.88 CSNK2A1 (0.36) ACHEMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2812252 0.88 CSNK2A1 (0.36) ACHEMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL537894 0.88 ALDH1A1 (0.38) LMNAALDH1A1SMN1; SMN2HTT

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 ACHE 4402/4885LMNA 2815/4885MEN1 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.