SCHEMBL4072933

SCHEMBL4072933

Cc1cccc2c1ncn2C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
PARP1 P09874 1/20 0.35
HCAR1 Q9BXC0 3/20 0.35
CYP17A1 P05093 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
AURKA O14965 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22901677 0.80 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL4569748 0.80 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL29538937 0.80 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL4572243 0.77 HCAR1 (0.38) PI4KAPI4K2BPI4K2API4KBHCAR1
SCHEMBL128435 0.75 DDB1 (0.42) CYP17A1KDM4EALDH1A1CYP1A2MEN1
SCHEMBL10014711 0.74 MEN1 (0.39) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL20471908 0.73 TLR8 (0.37) PI4KAPI4K2BPI4K2API4KBPARP1
SCHEMBL15907143 0.73 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBNPC1
SCHEMBL3424861 0.73 PARP15 (0.38) PARP1CYP17A1AURKACYP1A2
SCHEMBL3425500 0.73 CYP17A1 (0.36) PARP1CYP17A1ALDH1A1SMN1; SMN2AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530408-B2 Therapeutic compositions ALNYLAM PHARMACEUTICALS, INC. (US) 2022-12-20 US disclosed
US-11312957-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
US-20210254065-A1 iRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. 2021-08-19 US disclosed
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS PURETECH LYT, INC. (US) 2021-06-17 US disclosed
US-20200255833-A1 THERAPEUTIC COMPOSITIONS BANK OF AMERICA, N.A. 2020-08-13 US disclosed
US-10676740-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20190345498-A1 MODIFIED iRNA AGENTS BANK OF AMERICA, N.A. 2019-11-14 US disclosed
EP-3467930-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY ASAHI KASEI KABUSHIKI KAISHA (JP) 2019-04-10 EP disclosed
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION ALNYLAM PHARMACEUTICALS INC (US) 2019-02-14 US disclosed
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed
US-20100076056-A1 MODIFIED iRNA AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-25 US disclosed
US-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2010-03-18 US disclosed
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7595306-B2 Method of treating neurodegenerative disease NATIONAL INSTITUTE OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-09-29 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070275914-A1 Therapeutic Compositions BANK OF AMERICA, N.A. 2007-11-29 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070161591-A1 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2007-07-12 US disclosed
US-20070161595-A1 Method of treating neurodegenerative disease MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-07-12 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 (14 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-20100069471-A1 CHEMICALLY MODIFIED OLIGONUCLEOTIDES NSUN2, RNGTT, DCLRE1B PI4KA 3279/4885PI4K2B 2847/4885PI4K2A 2747/4885
US-20070161591-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA PI4KA 2920/4885PI4K2B 2760/4885PI4K2A 1658/4885
US-20190048344-A1 CHEMICAL MODIFICATIONS OF MONOMERS AND OLIGONUCLEOTIDES WITH CYCLOADDITION DNMT1, LCK, MCTS1 PI4KA 2090/4885PI4K2B 2675/4885PI4K2A 2423/4885
US-20210177757-A1 EXOSOMES FOR DELIVERY OF THERAPEUTIC AGENTS EXOSC5, EXOSC9, EXOSC10 PI4KA 2851/4885PI4K2B 3299/4885PI4K2A 2829/4885
US-20190345498-A1 MODIFIED iRNA AGENTS NCL, HNRNPA0, HNRNPA1 PI4KA 1611/4885PI4K2B 2041/4885PI4K2A 1481/4885
US-20070161595-A1 Method of treating neurodegenerative disease SNCA, PARK7, NLN PI4KA 3564/4885PI4K2B 2704/4885PI4K2A 1607/4885
US-20200255833-A1 THERAPEUTIC COMPOSITIONS SNRPE, HNRNPH3, RNASE1 PI4KA 2747/4885PI4K2B 2464/4885PI4K2A 2097/4885
US-20070275914-A1 Therapeutic Compositions AGO2, EXOSC5, RNASE1 PI4KA 3450/4885PI4K2B 3030/4885PI4K2A 2909/4885
US-10676740-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PI4KA 1611/4885PI4K2B 2041/4885PI4K2A 1481/4885
US-11530408-B2 Therapeutic compositions SNRPE, HNRNPH3, RNASE1 PI4KA 2747/4885PI4K2B 2464/4885PI4K2A 2097/4885
US-20100076056-A1 MODIFIED iRNA AGENTS LDLR, RNASE1, SARNP PI4KA 1808/4885PI4K2B 2264/4885PI4K2A 1725/4885
US-11312957-B2 Modified iRNA agents NCL, HNRNPA0, HNRNPA1 PI4KA 1611/4885PI4K2B 2041/4885PI4K2A 1481/4885
US-20090286973-A1 LIGAND-CONJUGATED MONOMERS TNFSF11, BCDIN3D, CD40LG PI4KA 3823/4885PI4K2B 3811/4885PI4K2A 3642/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 PI4KA 3515/4885PI4K2B 3653/4885PI4K2A 3403/4885

“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.