SCHEMBL914150

SCHEMBL914150

COC(=O)c1cc2c(OC(C)C)cccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.67
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ RCE1 Q9Y256 1/20 0.53
▸ KDM4E B2RXH2 4/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ FLT3 P36888 2/20 0.50
▸ GLA P06280 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL22235474 0.88 FLT3 (0.52) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL914773 0.86 SRD5A2 (0.59) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL217459 0.85 FLT3 (0.66) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL12388663 0.83 CYP2D6 (0.59) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL6308070 0.82 FLT3 (0.51) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL7044742 0.81 SRD5A2 (0.53) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL28599963 0.81 ULK1 (0.76) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL28581092 0.81 ULK1 (1.00) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL28603485 0.81 ULK1 (0.76) ULK1KMT2AMEN1RCE1KDM4E
SCHEMBL22620594 0.80 ULK1 (0.49) ULK1KMT2AMEN1RCE1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358435-A Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application 中国医学科学院医药生物技术研究所 2021-02-12 — — CN claimed
CN-112358435-B Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application 中国医学科学院医药生物技术研究所 2023-01-10 — — CN disclosed
CN-112358435-A Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application 中国医学科学院医药生物技术研究所 2021-02-12 — — CN disclosed
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP disclosed
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — 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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ULK1 4807/4885KMT2A 4109/4885MEN1 3891/4885
US-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 ULK1 1270/4885KMT2A 2297/4885MEN1 4119/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 ULK1 1706/4885KMT2A 2547/4885MEN1 2623/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 ULK1 4816/4885KMT2A 4125/4885MEN1 3849/4885

“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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