SCHEMBL2565469

SCHEMBL2565469

CC(C)(C)c1cccc(F)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
SYK P43405 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CCR4 P51679 5/20 0.32
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.31
ADRB1 P08588 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL16472119 1.00 MAPT (0.35) MAPTPGK1PGK2IDH1IDH2
SCHEMBL29168104 0.82 IRAK4 (0.33) MAPTPGK1PGK2IDH1IDH2
SCHEMBL42955 0.82 PGK1 (0.39) PGK1PGK2IDH1IDH2SYK
Iodide SCHEMBL2346492 0.79 PGK1 (0.38) PGK1PGK2IDH1IDH2SYK
Hydrochloric Acid SCHEMBL30595152 0.79 PGK1 (0.38) PGK1PGK2IDH1IDH2SYK
SCHEMBL22005467 0.79 MAPT (0.32) MAPTIDH1IDH2ADRB1
SCHEMBL415739 0.78 P2RX7 (0.44) PGK1PGK2IDH1IDH2ADRB1
SCHEMBL28748272 0.78 PGK1 (0.39) PGK1PGK2IDH1IDH2SYK
SCHEMBL29463867 0.78 P2RX7 (0.44) PGK1PGK2IDH1IDH2ADRB1
SCHEMBL25234867 0.77 ALDH1A1 (0.39) PGK1PGK2CYP3A4TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US disclosed
US-7935722-B2 Tetrahydrocarbazole derivatives useful as androgen receptor modulators ELI LILLY AND COMPANY (US) 2011-05-03 US disclosed
US-20100323887-A1 MESOIONIC PESTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-12-23 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US disclosed
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS CELLECTIS (FR) 2010-01-28 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080004282-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2008-01-03 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 (13 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAPT 4160/4885PGK1 4462/4885PGK2 4541/4885
US-20230339900-A1 CASEIN KINASE 1 DELTA MODULATORS CSNK1D, CSNK1A1, CSNK2A1 MAPT 364/4885PGK1 232/4885PGK2 395/4885
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 MAPT 4811/4885PGK1 4273/4885PGK2 4326/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 MAPT 1940/4885PGK1 1918/4885PGK2 2174/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH MAPT 4491/4885PGK1 3171/4885PGK2 2599/4885
US-20080004282-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 MAPT 1841/4885PGK1 2877/4885PGK2 1963/4885
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 MAPT 1440/4885PGK1 1333/4885PGK2 1385/4885
US-20100323887-A1 MESOIONIC PESTICIDES DDT, CHRM1, CHRM3 MAPT 4295/4885PGK1 4210/4885PGK2 4561/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 MAPT 3425/4885PGK1 4137/4885PGK2 3158/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MAPT 25/4885PGK1 774/4885PGK2 1701/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 MAPT 2067/4885PGK1 13/4885PGK2 14/4885
US-20100022550-A1 TETRAHYDROCARBAZOLE DERIVATIVES USEFUL AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, CYP17A1 MAPT 2148/4885PGK1 3876/4885PGK2 4051/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 MAPT 3549/4885PGK1 3640/4885PGK2 2017/4885

“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.