SCHEMBL2809583

SCHEMBL2809583

c1ccc(CN2CCc3n[nH]c4nc(NCC5CCCCCC5)nc2c34)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
CDC7 O00311 1/20 0.38
BRS3 P32247 5/20 0.37
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KCNH3 Q9ULD8 1/20 0.34
GRIN2B Q13224 1/20 0.34
LMNA P02545 1/20 0.34
APP P05067 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
STAT6 P42226 1/20 0.33

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
SCHEMBL2812250 1.00 ACHE (0.39) ACHECDC7BRS3CSNK2A1KDM4E
SCHEMBL2811941 0.86 CLPP (0.41) BRS3KDM4EALDH1A1KMT2AGAA
SCHEMBL2809575 0.83 BRS3 (0.40) ACHEBRS3GAAAPPSTAT6
SCHEMBL14405855 0.82 SIGMAR1 (0.43) ACHEBRS3KDM4EMEN1ALDH1A1
SCHEMBL2812298 0.82 CLPP (0.38) ACHEKDM4EALDH1A1KMT2AGAA
SCHEMBL537893 0.81 ALDH1A1 (0.40) BRS3KDM4EALDH1A1SMN1; SMN2TLR7
SCHEMBL537947 0.81 HRH3 (0.42) ACHEBRS3KDM4EMEN1ALDH1A1
SCHEMBL2808279 0.81 BRS3 (0.41) ACHEBRS3KDM4EMEN1ALDH1A1
SCHEMBL2814510 0.80 KDM4E (0.36) ACHEBRS3KDM4EALDH1A1KMT2A
SCHEMBL2810281 0.80 LTA4H (0.41) KDM4EALDH1A1STAT6

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 6 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
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 ACHE 4402/4885CDC7 443/4885BRS3 3282/4885

“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.