SCHEMBL17621877

SCHEMBL17621877

C=C(C)OC(=O)c1n[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.68
▸ STAT3 P40763 1/20 0.68
▸ HIF1A Q16665 1/20 0.68
▸ YTHDC1 Q96MU7 1/20 0.55
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CTNNB1 P35222 2/20 0.50
▸ WNT3A P56704 2/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ USP2 O75604 1/20 0.50

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
SCHEMBL27712247 0.81 KDM4E (0.67) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL29805260 0.81 KDM4E (1.00) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL498053 0.81 KDM4E (1.00) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL19675209 0.79 KDM4E (0.57) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL29781840 0.79 KDM4E (0.67) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL217086 0.79 KDM4E (0.67) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL25380488 0.78 KDM4E (0.71) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL11485891 0.78 KDM4E (0.71) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL5435670 0.77 KDM4E (0.69) KDM4ESTAT3HIF1AYTHDC1NPC1
SCHEMBL959364 0.77 KDM4E (1.00) KDM4ESTAT3HIF1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-10-26 — — US disclosed
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 — — US disclosed
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 — — US disclosed
US-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 — — US disclosed
WO-2016042080-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 — — WO disclosed
WO-2016041925-A1 BENZYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 — — WO disclosed
WO-2016042081-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 — — WO disclosed
WO-2016042084-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-24 — — 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 (4 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-20170275270-A1 BENZYL SUBSTITUTED INDAZOLES UGT2B7, CYP3A43, CYP3A7 KDM4E 2538/4885STAT3 4365/4885HIF1A 3332/4885
US-20170273980-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 INHIBITORS BUB1, BUB1B, BUB3 KDM4E 1627/4885STAT3 3783/4885HIF1A 2987/4885
US-20170275269-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 KDM4E 1582/4885STAT3 3323/4885HIF1A 2878/4885
US-20170305882-A1 BENZYL SUBSTITUTED INDAZOLES AS BUB1 KINASE INHIBITORS BUB1, BUB1B, BUB3 KDM4E 1582/4885STAT3 3323/4885HIF1A 2878/4885

“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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