SCHEMBL1344537

SCHEMBL1344537

CC(C)(O)c1ccc(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.36
NR3C1 P04150 1/20 0.35
NOTUM Q6P988 1/20 0.35
PTGS2 P35354 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PTGS1 P23219 2/20 0.33
NR3C2 P08235 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL30848125 1.00 KMT2A (0.39) KMT2AMEN1PKMNR3C1NOTUM
SCHEMBL10322751 0.83 MEN1 (0.39) KMT2AMEN1PKMNR3C1PTGS2
SCHEMBL29519425 0.83 MEN1 (0.39) KMT2AMEN1PKMNR3C1PTGS2
SCHEMBL11949594 0.83 PTGS1 (0.39) KMT2AMEN1PKMNR3C1NOTUM
SCHEMBL15933087 0.81 NOTUM (0.36) KMT2AMEN1PKMNR3C1NOTUM
SCHEMBL18802727 0.80 MEN1 (0.42) KMT2AMEN1NR3C1PTGS2PTGS1
SCHEMBL7162663 0.79 KMT2A (0.33) KMT2AMEN1PKMNR3C1NOTUM
SCHEMBL14991592 0.79 KMT2A (0.33) KMT2AMEN1PKMNR3C1NOTUM
SCHEMBL1507033 0.78 KCNN4 (0.43) KMT2AMEN1PTGS2HDAC3HDAC1
SCHEMBL29727285 0.78 KCNN4 (0.43) KMT2AMEN1PTGS2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
CN-117720472-A Benzimidazole compound, and preparation method and application thereof 苏州沪云新药研发股份有限公司 2024-03-19 CN disclosed
WO-2024051354-A1 BENZIMIDAZOLE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州沪云新药研发股份有限公司 2024-03-14 WO disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
CN-109843856-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2023-05-02 CN disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed
EP-2673281-B1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2016-04-13 EP disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933018-B2 Boron containing polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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 (3 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-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KMT2A 2081/4885MEN1 348/4885PKM 4596/4885
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP KMT2A 1133/4885MEN1 3352/4885PKM 1694/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS KMT2A 2081/4885MEN1 348/4885PKM 4596/4885

“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.