SCHEMBL17446308

SCHEMBL17446308

N#Cc1c(O)nc(N2CCCCC2)nc1-c1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.61
▸ ADORA1 P30542 14/20 0.50
▸ ADORA2A P29274 8/20 0.50
▸ ADORA2B P29275 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 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
SCHEMBL26143786 0.70 KMT2A (0.55) HSD17B10KDM4EALDH1A1TSHRMAPT
SCHEMBL18292493 0.70 PLAU (0.46) TBK1ALDH1A1PLAUHTT
SCHEMBL1733580 0.67 HPGD (0.65) TBK1ADORA1ADORA2AHSD17B10KDM4E
SCHEMBL16101357 0.65 TBK1 (0.47) TBK1ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL16793164 0.65 L3MBTL1 (0.47) TBK1HSD17B10KDM4EALDH1A1MAPT
SCHEMBL6441971 0.65 ADORA1 (0.61) TBK1ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL6442645 0.65 ADORA1 (0.61) TBK1ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL3369158 0.64 ADORA1 (1.00) ADORA1ADORA2AADORA2BHSD17B10ALDH1A1
SCHEMBL6441330 0.64 ADORA1 (0.69) ADORA1ADORA2AADORA2BHSD17B10KDM4E
SCHEMBL6381145 0.64 TBK1 (0.50) TBK1ADORA1HSD17B10KDM4EUSP2

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-9903855-B2 Assays for screening for or identifying an agent or molecule that can block or inhibit AVB3 integrin from forming a complex with KRAS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-27 — — US disclosed
US-9903855-B2 Assays for screening for or identifying an agent or molecule that can block or inhibit AVB3 integrin from forming a complex with KRAS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-27 — — US disclosed
US-9632074-B2 Compositions and methods for treating cancer and diseases and conditions responsive to cell growth inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 — — US disclosed
US-9632074-B2 Compositions and methods for treating cancer and diseases and conditions responsive to cell growth inhibition THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-04-25 — — US disclosed
US-20160146783-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION UNIV CALIFORNIA (US) 2016-05-26 — — US disclosed
US-20160146783-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION UNIV CALIFORNIA (US) 2016-05-26 — — US disclosed
US-20160015709-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 — — US disclosed
US-20160015709-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-21 — — 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-20160015709-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER AND DISEASES AND CONDITIONS RESPONSIVE TO CELL GROWTH INHIBITION LGALS3, IKBKG, IRAK3 TBK1 12/4885ADORA1 4613/4885ADORA2A 4511/4885

“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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