SCHEMBL3753695

SCHEMBL3753695

Fc1cc(Br)cc(N2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.49
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
HTR3E A5X5Y0 4/20 0.42
HTR3B O95264 4/20 0.42
HTR3A P46098 4/20 0.42
HTR3D Q70Z44 4/20 0.42
HTR3C Q8WXA8 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
NOS2 P35228 1/20 0.42
HTR2C P28335 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1D P28221 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL3045513 0.86 ADRB1 (0.57) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL6973293 0.84 ADRB1 (0.55) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL11551435 0.84 ADRB1 (0.55) ADRB1CHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL11550261 0.84 ADRB1 (0.55) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL12496993 0.82 CHRNB2 (0.40) CHRNB2CHRNA4ALDH1A1TP53HTT
SCHEMBL18278772 0.78 ADRB1 (0.56) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL19457821 0.78 ADRB1 (0.56) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL15365518 0.78 NPC1 (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3761215 0.78 MEN1 (0.44) ALDH1A1TP53CYP1A2HTT
SCHEMBL7229947 0.78 ADRB1 (0.75) ADRB1CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12622905-B2 Aryl pladienolides for the treatment of neoplastic disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2026-05-12 US disclosed
CN-117285502-A Pladienolide derivatives as spliceosome targeting agents for the treatment of cancer 卫材R&D管理有限公司 2023-12-26 CN disclosed
CN-112368270-B Pladienolide derivatives as spliceosome targeting agents for the treatment of cancer 卫材R&D管理有限公司 2023-10-13 CN disclosed
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-09-28 US disclosed
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-09-28 US disclosed
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-09-28 US disclosed
US-11679107-B2 Certain aryl pladienolide compounds and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-06-20 US disclosed
US-11679107-B2 Certain aryl pladienolide compounds and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-06-20 US disclosed
US-11679107-B2 Certain aryl pladienolide compounds and methods of use EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-06-20 US disclosed
US-20210177837-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-17 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-8530480-B2 Substituted pyrimidinyl-amines as protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-10 US disclosed
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2013-09-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 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 (6 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-11679107-B2 Certain aryl pladienolide compounds and methods of use PLAAT5, PLAAT3, SNRPE ADRB1 4117/4885CHRM2 4851/4885CHRM4 4845/4885
US-12622905-B2 Aryl pladienolides for the treatment of neoplastic disorders SF3B1, SF3B5, SF3B2 ADRB1 3332/4885CHRM2 4684/4885CHRM4 4779/4885
US-20230301990-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 ADRB1 4266/4885CHRM2 4845/4885CHRM4 4835/4885
US-20130231336-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 ADRB1 2017/4885CHRM2 4841/4885CHRM4 4804/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 ADRB1 2017/4885CHRM2 4841/4885CHRM4 4804/4885
US-20210177837-A1 CERTAIN ARYL PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 ADRB1 4120/4885CHRM2 4849/4885CHRM4 4846/4885

“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.