SCHEMBL2270532

SCHEMBL2270532

Cc1cccc2c1C(C)(C)C(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.53
PDK4 Q16654 3/20 0.53
AKR1B1 P15121 1/20 0.46
PGR P06401 7/20 0.42
CREBBP Q92793 2/20 0.38
POLB P06746 1/20 0.38
DAO P14920 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK3 Q15120 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PBRM1 Q86U86 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL12862681 0.80 AKR1B1 (0.44) PDK2PDK4AKR1B1PGRCREBBP
SCHEMBL24112426 0.79 PDK2 (0.53) PDK2PDK4AKR1B1PGRDAO
SCHEMBL17810256 0.78 AKR1B1 (0.45) PDK2PDK4AKR1B1CREBBPPOLB
SCHEMBL3865185 0.78 PDK2 (0.52) PDK2PDK4PGRPOLBPDK1
SCHEMBL31381642 0.78 PDK2 (0.52) PDK2PDK4PGRPOLBPDK1
SCHEMBL3150359 0.78 PDK2 (0.52) PDK2PDK4PGRPDK1PDK3
SCHEMBL3149249 0.78 PDK2 (0.52) PDK2PDK4PGRPDK1PDK3
SCHEMBL30484130 0.78 PDK2 (0.52) PDK2PDK4PGRPDK1PDK3
SCHEMBL24450280 0.77 AKR1B1 (0.42) PDK2PDK4AKR1B1PGRCREBBP
SCHEMBL24029212 0.77 AKR1B1 (0.42) PDK2PDK4AKR1B1PGRCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015251-A1 INHIBITORS OF HPK1 AND METHODS OF USE THEREOF ARCUS BIOSCIENCES, INC. (US) 2024-01-18 WO disclosed
EP-4219449-A2 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF PREPARATION THEREOF Kura Oncology, Inc. (US) 2023-08-02 EP disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-05-16 US disclosed
US-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins KURA ONCOLOGY, INC. (US) 2023-01-03 US disclosed
EP-4006030-A2 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS Kura Oncology, Inc. (US) 2022-06-01 EP disclosed
WO-2022109179-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2022-05-27 WO disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-3429585-B1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY INC (US) 2021-11-24 EP disclosed
EP-3303317-B1 METHODS AND COMPOSITIONS FOR INHIBITING THE INTERACTION OF MENIN WITH MLL PROTEINS KURA ONCOLOGY INC (US) 2021-10-06 EP disclosed
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
WO-2011092293-A2 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-04 WO disclosed
EP-0780388-B1 5HT1Dalpha and 5HT2A ligands LILLY CO ELI (GB) 2001-08-16 EP disclosed
US-6166040-A Indole compounds ELI LILLY AND COMPANY LIMITED (GB) 2000-12-26 US disclosed
EP-0963983-A1 Indol-2-ones as serotonin modulators ELI LILLY AND COMPANY LIMITED (GB) 1999-12-15 EP disclosed
US-5773448-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-06-30 US disclosed
EP-0780388-A1 5HT1Dalpha and 5HT2A ligands LILLY INDUSTRIES LIMITED (GB) 1997-06-25 EP disclosed
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP 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-11542248-B2 Methods and compositions for inhibiting the interaction of menin with MLL proteins MLLT1, MEN1, BMI1 PDK2 2965/4885PDK4 3093/4885AKR1B1 4214/4885
US-11649251-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 PDK2 2466/4885PDK4 2414/4885AKR1B1 4239/4885
US-20110201629-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS CRHR1, CRHR2, CRH PDK2 2556/4885PDK4 2817/4885AKR1B1 922/4885
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 PDK2 1988/4885PDK4 2358/4885AKR1B1 3382/4885

“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.