SCHEMBL2813432

SCHEMBL2813432

c1ccc(N2CCC3NNc4nc(N5CCCC5)nc2c43)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GLA P06280 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
NPY5R Q15761 1/20 0.36
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PIK3CA P42336 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 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
SCHEMBL2808545 0.88 PIK3CA (0.38) GAAHPGDHSD17B10TSHRALDH1A1
SCHEMBL2811701 0.86 GAA (0.46) GAAHPGDTSHRALDH1A1KDM4E
SCHEMBL2812041 0.80 CASP1 (0.40) GAAHPGDL3MBTL1GLAHSD17B10
SCHEMBL538301 0.80 KDM4E (0.39) GAAHPGDL3MBTL1NPY5RALDH1A1
SCHEMBL2812365 0.77 DRD4 (0.39) GAAHPGDHSD17B10TSHRALDH1A1
SCHEMBL537816 0.73 MAPK7 (0.40)
SCHEMBL2812432 0.72 APP (0.40) L3MBTL1HTT
SCHEMBL2809502 0.71 HTR6 (0.41) ALDH1A1KDM4EHTT
SCHEMBL2809650 0.71 ALDH1A1 (0.40) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL2810442 0.71 HTR7 (0.38)

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 GAA 1908/4885HPGD 193/4885L3MBTL1 4501/4885

“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.