SCHEMBL2809435

SCHEMBL2809435

COc1cc(CNc2nc3c4c(n[nH]c4n2)CCN3Cc2ccccc2)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
BACE1 P56817 3/20 0.45
BCHE P06276 2/20 0.44
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL2816678 0.91 CYP1A2 (0.46) ACHEBCHEGAALMNASMN1; SMN2
SCHEMBL2812960 0.89 CLPP (0.40) ACHEBACE1GAAKDM4EALDH1A1
SCHEMBL2811941 0.86 CLPP (0.41) GAAKDM4EALDH1A1LMNAMAPT
SCHEMBL2812210 0.86 SIGMAR1 (0.46) GAAKDM4EALDH1A1MAPTHPGD
SCHEMBL537583 0.86 CLPP (0.49) ACHEBACE1GAAKDM4EALDH1A1
SCHEMBL2813847 0.84 PDE5A (0.43) ACHEBACE1BCHEKDM4ELMNA
SCHEMBL2813041 0.84 HTR1A (0.40) GAASIGMAR1
SCHEMBL2813023 0.82 CLPP (0.38) ACHEBCHEGAAKDM4EMAPT
SCHEMBL2814510 0.82 KDM4E (0.36) ACHEBACE1KDM4EALDH1A1LMNA
SCHEMBL2812298 0.81 CLPP (0.38) ACHEBACE1BCHEGAAKDM4E

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 4402/4885BACE1 3588/4885BCHE 4134/4885

“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.