SCHEMBL2811970

SCHEMBL2811970

COc1ccc(CN2CCc3n[nH]c4nc(Nc5ccc(N6CCN(C)CC6)cc5)nc2c34)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.48
AXL P30530 2/20 0.48
PTK2 Q05397 1/20 0.48
MAPT P10636 7/20 0.46
MAPK1 P28482 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
AURKA O14965 1/20 0.43
HTT P42858 1/20 0.43
EGFR P00533 1/20 0.43
KDR P35968 1/20 0.43
BRD4 O60885 1/20 0.43
FGFR4 P22455 1/20 0.42
MERTK Q12866 1/20 0.42
STAT6 P42226 1/20 0.42
USP2 O75604 1/20 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
SCHEMBL2813444 0.87 AXL (0.43) AXLMAPTMAPK1MEN1KMT2A
SCHEMBL537753 0.84 ALDH1A1 (0.43) MAPTMAPK1L3MBTL1MEN1KMT2A
SCHEMBL2812222 0.81 ACHE (0.41) JAK2AXLMAPTMEN1KMT2A
SCHEMBL14405858 0.80 HSD17B10 (0.43) MAPTMAPK1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL2811719 0.79 GAA (0.41) MAPTMAPK1L3MBTL1MEN1KMT2A
SCHEMBL2813933 0.78 STAT6 (0.43) AXLMAPTMAPK1L3MBTL1MEN1
SCHEMBL2812929 0.78 CLK4 (0.43) MAPTMAPK1L3MBTL1MEN1KMT2A
SCHEMBL537583 0.78 CLPP (0.49) MAPTL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL538654 0.77 PIK3CA (0.46) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL2812067 0.77 HRH1 (0.39) MEN1KMT2AALDH1A1GAATSHR

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 JAK2 289/4885AXL 1089/4885PTK2 2122/4885

“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.