SCHEMBL616998

SCHEMBL616998

CCn1c(C)nc2cc(N)ccc21

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.97
RAD52 P43351 1/20 0.97
TDP1 Q9NUW8 3/20 0.62
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 5/20 0.54
HTT P42858 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 3/20 0.54
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 3/20 0.49
GFER P55789 2/20 0.49

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
Hydrochloric Acid SCHEMBL6605580 0.98 KDM4E (1.00) KDM4ERAD52TDP1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL16736724 0.98 KDM4E (1.00) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL615475 0.86 KDM4E (0.73) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL938178 0.84 KDM4E (0.70) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL10989096 0.82 KDM4E (0.68) KDM4ERAD52TDP1KMT2AHTT
SCHEMBL11440211 0.82 KDM4E (0.73) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL617943 0.82 KDM4E (0.68) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL623760 0.81 KDM4E (0.66) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL24900472 0.80 KDM4E (0.64) KDM4ERAD52TDP1KMT2AALDH1A1
SCHEMBL617824 0.80 TNF (0.68) KDM4ERAD52TDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
CN-110105346-B Optionally substituted quinoline compounds 卫材R&D管理有限公司 2023-03-10 CN disclosed
EP-3995495-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2022-05-11 EP disclosed
EP-3626717-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2020-03-25 EP disclosed
CN-110105346-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2019-08-09 CN disclosed
US-RE47193-E1 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-01-08 US disclosed
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-12-13 US disclosed
US-10087174-B2 Selectively substituted quinoline compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-10-02 US disclosed
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-02-01 US disclosed
CN-106414432-A Optionally substituted quinoline compounds 卫材R&D管理有限公司 2017-02-15 CN disclosed
US-7786152-B2 Compound STERIX LIMITED (GB) 2010-08-31 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer STERIX LIMITED (GB) 2008-05-15 US disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7309715-B2 Compound STERIX LIMITED (GB) 2007-12-18 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1556040-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 Sterix Limited (GB) 2005-07-27 EP disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
US-20040143124-A1 Compound STERIX LIMITED (GB) 2004-07-22 US disclosed
WO-2004037251-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AND TYPE 2 STERIX LIMITED (GB) 2004-05-06 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 (7 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-10087174-B2 Selectively substituted quinoline compounds SSB, TLR7, TLR8 KDM4E 562/4885RAD52 1919/4885TDP1 1824/4885
US-20080114042-A1 Inhibiting 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD); use of sulfonamide-substituted N-heterocyclics including pyrroles, oxazoles, thiazoles, imidazoles and their fused analogs to treat diabetes, obesity, hypertension, arthritis, asthma, osteoporosis, breast cancer HSD11B1, HSD3B1, HSD11B2 KDM4E 2033/4885RAD52 2526/4885TDP1 3170/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 KDM4E 2869/4885RAD52 4876/4885TDP1 3631/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KDM4E 2869/4885RAD52 4876/4885TDP1 3631/4885
US-20180030045-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KDM4E 562/4885RAD52 1919/4885TDP1 1824/4885
US-20180354939-A1 SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS SSB, TLR7, TLR8 KDM4E 541/4885RAD52 1579/4885TDP1 1731/4885
US-20040143124-A1 Compound NR4A1, CBR1, NR2C2 KDM4E 893/4885RAD52 762/4885TDP1 4350/4885

“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.