Sugi Predict

Sugi Predict / Compounds / SCHEMBL578799

SCHEMBL578799

SCHEMBL578799

CC1CN(Cc2ccc(Br)cc2)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP2A13 Q16696 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ POLB P06746 2/20 0.45
▸ SIGMAR1 Q99720 3/20 0.44
▸ RORC P51449 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EBP Q15125 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
SCHEMBL578456 1.00 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL9163392 1.00 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL9390979 1.00 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
Hydrochloric Acid SCHEMBL38659118 0.98 KDM4E (0.51) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL12383 0.84 ALDH1A1 (0.55) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL4148981 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL12156566 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL22711368 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL5101706 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA
SCHEMBL3744757 0.82 KDM4E (0.53) KDM4EHTTTDP1CYP2A13LMNA

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 52 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
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 — — WO disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 — — US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 — — US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 — — US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 — — EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 — — WO disclosed
US-5382666-A Heterocyclic intermediates ORTHO PHARMACEUTICAL CORPORATION (US) 1995-01-17 — — US disclosed
WO-1994015926-A1 ANGIOTENSIN II INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1994-07-21 — — WO disclosed
US-5256658-A Biphenylyl tetrazoles for hypertension in mammals ORTHO PHARMACEUTICAL CORPORATION (US) 1993-10-26 — — 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 (7 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-20180105511-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 KDM4E 4045/4885HTT 1628/4885TDP1 3299/4885
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 KDM4E 665/4885HTT 1521/4885TDP1 2120/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 KDM4E 630/4885HTT 1688/4885TDP1 1385/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 KDM4E 883/4885HTT 4762/4885TDP1 1766/4885
US-20170226088-A1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'-INDOLIN]-2'-ONES IDO1, IDO2, IMPA1 KDM4E 4045/4885HTT 1628/4885TDP1 3299/4885
US-10077255-B2 Synthesis of chiral 2-(1H-indazol-6-yl)-spiro[cyclopropane-1,3′-indolin]-2′-ones IDO1, IDO2, IMPA1 KDM4E 4012/4885HTT 1616/4885TDP1 3363/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 KDM4E 883/4885HTT 4762/4885TDP1 1766/4885

“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.