SCHEMBL11085523

SCHEMBL11085523

O=C(O)c1ccc2nc3n(c(=O)c2c1)CCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 4/20 0.68
SMN1; SMN2 Q16637 4/20 0.68
HSD17B10 Q99714 2/20 0.68
HPGD P15428 1/20 0.68
BCHE P06276 6/20 0.62
ACHE P22303 6/20 0.62
USP2 O75604 2/20 0.62
CYP1A2 P05177 1/20 0.62
CFTR P13569 1/20 0.62
ALOX15 P16050 1/20 0.62
HKDC1 Q2TB90 1/20 0.62
GOPC Q9HD26 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPK1 P28482 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL11087054 0.97 ALDH1A1 (0.66) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL11087150 0.90 NPC1 (0.66) ALDH1A1KDM4ESMN1; SMN2HSD17B10BCHE
SCHEMBL11088892 0.88 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HSD17B10BCHE
SCHEMBL17221727 0.87 SMN1; SMN2 (0.63) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL2052740 0.87 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL29040780 0.82 TP53 (0.50) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL30548190 0.82 TP53 (0.50) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL5509709 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL5519389 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL17221319 0.81 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2HSD17B10HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695166-B2 Pyrazolopyridine pyrazolopyrimidine and related compounds GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-07-04 US disclosed
WO-2015171527-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-4428952-A Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers FARMITALIA CARLO ERBA S.P.A. (IT) 1984-01-31 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH ALDH1A1 416/4885KDM4E 4071/4885SMN1; SMN2 1408/4885

“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.