SCHEMBL10254932

SCHEMBL10254932

[C-]#[N+]c1ccc2cc(OC)c(NC(C)=O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ PTK2 Q05397 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL25992579 0.79 MEN1 (0.65) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL358070 0.79 HSD17B1 (0.53) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL359579 0.76 HSD17B1 (0.50) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL7956482 0.70 MEN1 (0.65) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL2502603 0.68 MAPT (0.71) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL30622065 0.68 HSD17B1 (0.75) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL2191052 0.68 HSD17B1 (0.75) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL3009193 0.67 HSD17B1 (1.00) HSD17B1HSD17B2MEN1KMT2AGAA
SCHEMBL10720756 0.67 MAPT (0.53) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL14496909 0.66 MEN1 (0.59) HSD17B1HSD17B2MEN1KMT2AGAA

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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 — — US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 — — US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 — — US disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 — — 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 (3 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 HSD17B1 2470/4885HSD17B2 2543/4885MEN1 3338/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 HSD17B1 2470/4885HSD17B2 2543/4885MEN1 3338/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 HSD17B1 2470/4885HSD17B2 2543/4885MEN1 3338/4885

“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.

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