SCHEMBL803633

SCHEMBL803633

Cc1ccc(Cl)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
CA2 P00918 1/20 0.44
TYR P14679 1/20 0.44
TSHR P16473 2/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
HIF1A Q16665 2/20 0.37
TP53 P04637 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HSPA5 P11021 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36

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
SCHEMBL12872215 0.82 PDK1 (0.42) SMN1; SMN2PDK1PDK2PDK3PDK4
SCHEMBL15040575 0.82 PDK1 (0.42) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL10251222 0.82 PDK1 (0.42) SMN1; SMN2ALDH1A1PDK1PDK2PDK3
SCHEMBL16579354 0.82 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL803011 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL167133 0.79 RAPGEF4 (0.54) SMN1; SMN2PDK1TP53RAPGEF4LMNA
SCHEMBL799894 0.78 TP53 (0.48) SMN1; SMN2ALDH1A1TSHRPDK1PDK2
SCHEMBL17594923 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBCA2TYR
SCHEMBL10610735 0.76 ALDH1A1 (0.43) ALDH1A1POLBTYRTSHRCYP2C19
SCHEMBL18837644 0.76 RAPGEF4 (0.40) SMN1; SMN2ALDH1A1POLBPDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 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 (16 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885ALDH1A1 617/4885POLB 3099/4885
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B SMN1; SMN2 2267/4885ALDH1A1 2504/4885POLB 2508/4885
US-20070066599-A1 New compounds SULT2A1, GPR119, STS SMN1; SMN2 389/4885ALDH1A1 363/4885POLB 4287/4885
US-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885ALDH1A1 4178/4885POLB 639/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD SMN1; SMN2 3587/4885ALDH1A1 116/4885POLB 621/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 SMN1; SMN2 248/4885ALDH1A1 262/4885POLB 4217/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 SMN1; SMN2 999/4885ALDH1A1 4030/4885POLB 4085/4885
US-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP SMN1; SMN2 4859/4885ALDH1A1 3887/4885POLB 1365/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 SMN1; SMN2 248/4885ALDH1A1 262/4885POLB 4217/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 SMN1; SMN2 1394/4885ALDH1A1 617/4885POLB 3099/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885ALDH1A1 4178/4885POLB 639/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD SMN1; SMN2 3587/4885ALDH1A1 116/4885POLB 621/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS SMN1; SMN2 2180/4885ALDH1A1 3193/4885POLB 2261/4885
US-20070149534-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 SMN1; SMN2 3450/4885ALDH1A1 2051/4885POLB 2405/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS SMN1; SMN2 4716/4885ALDH1A1 2149/4885POLB 1637/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B SMN1; SMN2 369/4885ALDH1A1 1061/4885POLB 1147/4885

“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.