SCHEMBL10142439

SCHEMBL10142439

CCc1nc2ccc(C)cc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.74
POLB P06746 4/20 0.74
CYP1A2 P05177 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
DDAH1 O94760 1/20 0.59
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
MEN1 O00255 3/20 0.57
GFER P55789 1/20 0.57
GAA P10253 5/20 0.56
HTT P42858 2/20 0.56
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
PIN1 Q13526 1/20 0.51
MAPT P10636 3/20 0.50

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
SCHEMBL15747145 0.86 KMT2A (0.57) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL15996247 0.86 KMT2A (0.57) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL6757227 0.86 KMT2A (0.81) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL10038839 0.85 DDAH1 (0.59) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL15947556 0.84 KMT2A (0.72) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL18765332 0.84 KMT2A (0.72) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL9720980 0.83 KMT2A (0.84) KMT2APOLBCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL28836137 0.82 KMT2A (0.75) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL9721050 0.82 KMT2A (0.82) KMT2APOLBCYP1A2CYP2D6CYP2C9
SCHEMBL868184 0.81 DDAH1 (0.59) KMT2APOLBCYP1A2CYP2D6CYP2C9

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-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
US-20230355609-A1 Spirolactone Compounds QUIXGEN, INC. (US) 2023-11-09 US disclosed
WO-2019006324-A1 NOVEL SPIROLACTONE COMPOUNDS QUIXGEN, INC. (US) 2019-01-03 WO disclosed
CN-105503737-B Method for preparing benzimidazole or benzothiazole compounds without catalyst 大连理工大学 2018-06-19 CN disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds Epizyme, Inc. (US) 2012-06-07 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-7312229-B2 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-12-25 US disclosed
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-04-19 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 (12 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885POLB 138/4885CYP1A2 2958/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KMT2A 3803/4885POLB 57/4885CYP1A2 3826/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885POLB 682/4885CYP1A2 205/4885
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885POLB 682/4885CYP1A2 205/4885
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 KMT2A 1438/4885POLB 2104/4885CYP1A2 654/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 KMT2A 2972/4885POLB 277/4885CYP1A2 2413/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885POLB 138/4885CYP1A2 2958/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KMT2A 2957/4885POLB 682/4885CYP1A2 205/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A KMT2A 3118/4885POLB 2192/4885CYP1A2 3725/4885
US-20230355609-A1 Spirolactone Compounds ACACA, AKR1C2, AKR1A1 KMT2A 3481/4885POLB 2141/4885CYP1A2 204/4885
US-20120142625-A1 Substituted Purine And 7-Deazapurine Compounds TPMT, DIMT1, DAZAP1 KMT2A 177/4885POLB 1016/4885CYP1A2 2702/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS KMT2A 4093/4885POLB 138/4885CYP1A2 2958/4885

“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.