SCHEMBL578449

SCHEMBL578449

CC1(C)OB(C=Cc2ccc(CN3CCCC3)cc2)OC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.46
▸ HRH4 Q9H3N8 1/20 0.42
▸ NCF1 P14598 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MBTD1 Q05BQ5 1/20 0.41
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRM1 P11229 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ EPAS1 Q99814 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL578448 1.00 HRH3 (0.46) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL585851 0.99 HRH3 (0.49) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL585850 0.99 HRH3 (0.49) HRH3HRH4NCF1ALDH1A1KDM4E
SCHEMBL586211 0.90 HIF1A (0.49) HRH3ALDH1A1HIF1AEPAS1
SCHEMBL586212 0.90 HIF1A (0.49) HRH3ALDH1A1HIF1AEPAS1
SCHEMBL4110418 0.89 LMNA (0.47) NCF1ALDH1A1KDM4EHIF1AEPAS1
SCHEMBL578573 0.89 HIF1A (0.53) HRH3ALDH1A1HIF1AEPAS1
SCHEMBL4110423 0.89 LMNA (0.47) NCF1ALDH1A1KDM4EHIF1AEPAS1
SCHEMBL578572 0.89 HIF1A (0.53) HRH3ALDH1A1HIF1AEPAS1
SCHEMBL4111718 0.84 HRH3 (0.54) HRH3L3MBTL1MCHR1CYP2D6MEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 — — US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 — — US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 — — US disclosed
US-10077255-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones UNIVERSITY HEALTH NETWORK (CA) 2018-09-18 — — US disclosed
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2018-04-19 — — US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 — — US disclosed
US-9796703-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones UNIVERSITY HEALTH NETWORK (CA) 2017-10-24 — — US disclosed
US-20170226088-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2017-08-10 — — US disclosed
EP-2556070-B1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIV HEALTH NETWORK (CA) 2017-06-07 — — EP disclosed
US-9579327-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 — — US disclosed
EP-2556070-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES University Health Network (CA) 2013-02-13 — — EP disclosed
EP-2556071-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2013-02-13 — — EP disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 — — US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 — — US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 — — US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 — — EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 — — US disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2011123947-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 — — 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 (8 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-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885HRH4 3220/4885NCF1 1331/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 HRH3 3894/4885HRH4 3781/4885NCF1 1502/4885
US-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 HRH3 2891/4885HRH4 2456/4885NCF1 3272/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885HRH4 3220/4885NCF1 1331/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885HRH4 3220/4885NCF1 1331/4885
US-20170226088-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 HRH3 2891/4885HRH4 2456/4885NCF1 3272/4885
US-10077255-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones IDO1, IDO2, IMPA1 HRH3 2966/4885HRH4 2577/4885NCF1 3266/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HRH3 3367/4885HRH4 3220/4885NCF1 1331/4885

“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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