SCHEMBL2816402

SCHEMBL2816402

c1ccc(CN2CCc3n[nH]c4nc(NCc5ccc6c(c5)OCO6)nc2c34)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 1/20 0.51
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
MAPT P10636 2/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
ADRA2A P08913 3/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL2811149 0.87 FAAH (0.40) CLPPACHEBACE1MAPTKCNH2
SCHEMBL2811941 0.86 CLPP (0.41) CLPPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2808296 0.84 MEN1 (0.51) CLPPKCNH2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2814510 0.84 KDM4E (0.36) CLPPACHEBACE1MAPTALDH1A1
SCHEMBL2812298 0.83 CLPP (0.38) CLPPACHEBACE1MAPTSMN1; SMN2
SCHEMBL2816678 0.81 CYP1A2 (0.46) ACHESMN1; SMN2CYP1A2CYP3A4GAA
SCHEMBL13131478 0.81 CLPP (0.39) CLPPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2812210 0.80 SIGMAR1 (0.46) CLPPMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL537583 0.80 CLPP (0.49) CLPPACHEBACE1MAPTSMN1; SMN2
SCHEMBL2811760 0.80 LMNA (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EGAA

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 CLPP 2832/4885ACHE 4402/4885BACE1 3588/4885

“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.