SCHEMBL10173626

SCHEMBL10173626

CC(C)Cn1cc2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 5/20 0.38
KDM4E B2RXH2 5/20 0.38
TLR7 Q9NYK1 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.37
SLC6A2 P23975 1/20 0.37
POLB P06746 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
HTR2A P28223 1/20 0.36
ADORA2A P29274 1/20 0.36
ADRA1A P35348 1/20 0.36
NUDT1 P36639 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
SCHEMBL5764690 0.79 SLC6A2 (0.43) ALDH1A1SMN1; SMN2LMNAKDM4ETLR7
SCHEMBL6101289 0.76 HDAC8 (0.40) ALDH1A1SMN1; SMN2LMNAHTTNPC1
SCHEMBL10123647 0.76 SLC6A2 (0.44) ALDH1A1SMN1; SMN2LMNAKDM4ETLR7
SCHEMBL17274873 0.75 SLC6A2 (0.40) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL11604153 0.75 HDAC8 (0.38) ALDH1A1KDM4EGLAHPGDSLC6A2
SCHEMBL2914478 0.75 SLC6A2 (0.36) ALDH1A1KDM4ETLR7HTTGLA
SCHEMBL10109755 0.74 ADORA2A (0.40) GAASLC6A2ADORA2AHDAC8MEN1
SCHEMBL28166543 0.74 GABRP (0.37) LMNAL3MBTL1SLC6A2TSHRHDAC8
SCHEMBL26346622 0.74 HTR2A (0.35) ALDH1A1SMN1; SMN2LMNAKDM4EHTT
SCHEMBL4750167 0.73 HTT (0.38) SMN1; SMN2LMNAKDM4EHTTGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-8937077-B2 Bicyclic diamines as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-01-20 US disclosed
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 US disclosed
US-8242140-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-14 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
CN-1351603-A Indazole or benzotriazole derivatives for use as pesticides ZENECA LTD (GB) 2002-05-29 CN 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 (6 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B ALDH1A1 1257/4885SMN1; SMN2 3866/4885LMNA 4099/4885
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 ALDH1A1 1240/4885SMN1; SMN2 1764/4885LMNA 1356/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 352/4885SMN1; SMN2 3396/4885LMNA 1143/4885
US-20130225577-A1 BICYCLIC DIAMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 ALDH1A1 780/4885SMN1; SMN2 4804/4885LMNA 4843/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 2776/4885SMN1; SMN2 2647/4885LMNA 1656/4885
US-20100190779-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E ALDH1A1 1625/4885SMN1; SMN2 4053/4885LMNA 3643/4885

“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.