SCHEMBL442507

SCHEMBL442507

CC(C)c1cc(CN)on1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.43
EPHX2 P34913 2/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GRM5 P41594 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
IGF1R P08069 5/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ATM Q13315 1/20 0.34

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 SCHEMBL19555684 0.98 NOTUM (0.42) NOTUMEPHX2LMNAALDH1A1GRM5
SCHEMBL92807 0.81 EPHX2 (0.42) EPHX2LMNAALDH1A1GRM5IGF1R
SCHEMBL2306096 0.79 LMNA (0.45) NOTUMEPHX2LMNAALDH1A1GRM5
SCHEMBL4158787 0.79 NOTUM (0.43) NOTUMEPHX2CYP2E1CYP2A6CYP2C9
SCHEMBL9386575 0.79 EPHX2 (0.41) EPHX2LMNAALDH1A1GRM5IGF1R
SCHEMBL745934 0.79 ALDH1A1 (0.49) EPHX2LMNAALDH1A1GRM5IGF1R
SCHEMBL1106840 0.79 ALDH1A1 (0.43) EPHX2LMNAALDH1A1GRM5RAB9A
SCHEMBL18884429 0.79 EPHX2 (0.48) EPHX2LMNAALDH1A1IGF1RRAB9A
SCHEMBL9548280 0.78 NOTUM (0.40) NOTUMEPHX2LMNAALDH1A1CYP2E1
SCHEMBL4119886 0.78 RAB9A (0.47) EPHX2LMNAALDH1A1GRM5IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP claimed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US claimed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US claimed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US claimed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP claimed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO claimed
EP-4537901-A2 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS F. Hoffmann-La Roche AG (CH) 2025-04-16 EP disclosed
EP-3826679-B1 ABCA1-INDUCING COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (CH) 2024-11-27 EP disclosed
US-20240325372-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (US) 2024-10-03 US disclosed
CN-112469442-B Compounds for treating kidney disorders 豪夫迈·罗氏有限公司 2024-04-09 CN disclosed
CN-117736141-A Compounds for treating kidney disorders 豪夫迈·罗氏有限公司 2024-03-22 CN disclosed
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (US) 2021-09-09 US disclosed
EP-2010535-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO AstraZeneca AB (SE) 2009-01-07 EP disclosed
US-20080249079-A1 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas EXELIXIS, INC. (US) 2008-10-09 US disclosed
US-20080249079-A1 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas EXELIXIS, INC. (US) 2008-10-09 US disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 US disclosed
WO-2007120098-A1 THIOXANTHINE DERIVATIVES AND THEIR USE AS INHIBITORS OF MPO ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR NOTUM 391/4885EPHX2 1002/4885LMNA 886/4885
US-20080249079-A1 N2-{[3-(1-methylethyl)isoxazol-5-yl]methyl}-N4-[5-(1-methylethyl)-1H-pyrazol-3-yl]-6-[(1-methylpiperidin-3-yl)oxy]pyrimidine-2,4-diamine; IGF1R modulators; Abl mutant inhibitors; antiproliferative agents; to modulate cellular activities like differentiation, programmed cell death, migration, chemoinvas IGF1R, INSR, ERBB3 NOTUM 4856/4885EPHX2 3742/4885LMNA 2618/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 NOTUM 4588/4885EPHX2 607/4885LMNA 1709/4885
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, PLAAT2 NOTUM 3652/4885EPHX2 2843/4885LMNA 1133/4885
US-20240325372-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, DGKB NOTUM 3382/4885EPHX2 3472/4885LMNA 582/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR NOTUM 4781/4885EPHX2 4278/4885LMNA 3680/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 NOTUM 1823/4885EPHX2 1438/4885LMNA 1996/4885

“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.