SCHEMBL4919669

SCHEMBL4919669

C#C[C@@H]1CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.43
CTSK P43235 1/20 0.41
RECQL P46063 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
EPHX1 P07099 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 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
SCHEMBL5275535 1.00 HSD17B10 (0.47) HSD17B10HPGDCTSKRECQLCHRM2
SCHEMBL3188564 0.90 HSD17B10 (0.55) HSD17B10HPGDCTSKRECQLMEN1
SCHEMBL231219 0.90 HSD17B10 (0.55) HSD17B10HPGDCTSKRECQLMEN1
SCHEMBL889059 0.90 HSD17B10 (0.55) HSD17B10HPGDCTSKRECQLMEN1
SCHEMBL15317053 0.89 HPGD (0.50) HSD17B10HPGDCTSKRECQLMEN1
SCHEMBL525478 0.89 HPGD (0.50) HSD17B10HPGDCTSKRECQLMEN1
SCHEMBL10082580 0.89 HPGD (0.50) HSD17B10HPGDCTSKRECQLMEN1
SCHEMBL9554546 0.84 CTSK (0.42) HSD17B10HPGDCTSKRECQLCHRM2
SCHEMBL6166916 0.83 CTSK (0.49) HSD17B10CTSKCHRM2CHRM1CHRM3
SCHEMBL16067363 0.83 CTSK (0.49) HSD17B10CTSKCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity ASTRAZENECA AB (SE) 2008-07-03 US disclosed
EP-1863797-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006100461-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-09-28 WO 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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity IGF1R, IGFBP1, IGFBP2 HSD17B10 4218/4885HPGD 2451/4885CTSK 3323/4885

“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.