SCHEMBL722919

SCHEMBL722919

CC(C)n1nc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.35
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAP3K12 Q12852 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
ESR1 P03372 2/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 1/20 0.30
CARM1 Q86X55 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL25212917 0.77 TGFBR1 (0.37) TGFBR1KDM4ELMNAMAP3K12ESR1
SCHEMBL364962 0.77 HDAC3 (0.38) TGFBR1KDM4ELMNACYP3A4TRPV3
SCHEMBL31031675 0.76 TGFBR1 (0.47) TGFBR1KDM4ELMNACYP3A4CYP2D6
SCHEMBL18853941 0.74 KDM4E (0.37) TGFBR1KDM4ELMNAMAP3K12ESR1
SCHEMBL9198090 0.74 KDM4E (0.39) TGFBR1KDM4ELMNAESR1CYP3A4
SCHEMBL17045332 0.73 HSP90AA1 (0.36) TGFBR1KDM4ELMNAMAP3K12CYP3A4
SCHEMBL15724401 0.73 TGFBR1 (0.34) TGFBR1KDM4ELMNAMAP3K12ESR1
SCHEMBL13605208 0.73 PTGS1 (0.38) TGFBR1KDM4ELMNAMAP3K12ESR1
SCHEMBL4555339 0.73 RET (0.30)
SCHEMBL723295 0.72 LMNA (0.40) TGFBR1KDM4ELMNACYP3A4CYP2D6

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
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS LLC (US) 2025-10-23 US disclosed
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2025-10-07 US disclosed
US-12312359-B2 Inhibitors of the menin-MLL interaction VITAE PHARMACEUTICALS, LLC (US) 2025-05-27 US disclosed
CN-118344358-A HPK1 inhibitor and preparation method and application thereof 中国科学院上海有机化学研究所 2024-07-16 CN disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, LLC 2023-06-08 US disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
US-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-26 US disclosed
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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-20230026425-A1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF RIPK1, RIPK3, RIPK4 TGFBR1 1871/4885KDM4E 1934/4885LMNA 2659/4885
US-20230174541-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TGFBR1 3722/4885KDM4E 171/4885LMNA 873/4885
US-12312359-B2 Inhibitors of the menin-MLL interaction MLLT1, MEN1, MLLT3 TGFBR1 3722/4885KDM4E 171/4885LMNA 873/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TGFBR1 4685/4885KDM4E 4057/4885LMNA 1306/4885
US-20250326764-A1 INHIBITORS OF THE MENIN-MLL INTERACTION MLLT1, MEN1, MLLT3 TGFBR1 3722/4885KDM4E 171/4885LMNA 873/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TGFBR1 4685/4885KDM4E 4057/4885LMNA 1306/4885
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof RIPK1, RIPK3, RIPK4 TGFBR1 1871/4885KDM4E 1934/4885LMNA 2659/4885

“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.