SCHEMBL12459121

SCHEMBL12459121

CC(C)(C)c1ccc(C2CC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.40
TRPC6 Q9Y210 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KIF11 P52732 2/20 0.32
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
ALOX5AP P20292 1/20 0.32

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
SCHEMBL13141206 0.93 NOTUM (0.36) NOTUMTRPC6GPR119PTGS1PTGS2
SCHEMBL13179082 0.91 TRPV3 (0.36) NOTUMTRPC6GPR119PTGS1PTGS2
SCHEMBL21981194 0.91 TRPV3 (0.36) NOTUMTRPC6GPR119PTGS1PTGS2
SCHEMBL19625275 0.91 L3MBTL1 (0.38) NOTUMTRPC6MEN1KMT2AL3MBTL1
SCHEMBL26151663 0.88 PDE9A (0.38) NOTUMPIK3CA
SCHEMBL3411519 0.85 ADORA2A (0.43) NOTUMTRPC6GPR119PTGS1PTGS2
SCHEMBL25292351 0.83 CHRNB2 (0.34) TSHR
SCHEMBL27064600 0.82 CNR2 (0.41) NOTUMGPR119MTOR
SCHEMBL23054209 0.80 NOTUM (0.36) NOTUMGPR119PTGS1PTGS2ADORA2A
SCHEMBL16452781 0.80 KMT2A (0.42) NOTUMGPR119KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same SAIL BIOMEDICINES, INC. 2023-11-30 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2023-09-05 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-07-20 US disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-9199996-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. 2015-08-13 US disclosed
US-9029361-B2 Agents for treating pain and uses thereof ABBVIE INC. (US) 2015-05-12 US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 US disclosed
US-20140171423-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ABBVIE INC. (US) 2014-06-19 US disclosed
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 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-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 NOTUM 4658/4885TRPC6 1576/4885GPR119 452/4885
US-20230226074-A1 METHODS OF USE FOR PYRIMIDINES AS FERROPORTIN INHIBITORS SLC40A1, HAMP, SLC19A1 NOTUM 4249/4885TRPC6 3161/4885GPR119 1831/4885
US-20130190344-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NOTUM 3092/4885TRPC6 575/4885GPR119 347/4885
US-20230381182-A1 Biomarkers Related to Immune Checkpoint Inhibitor Therapy and Methods of Using the Same AHR, CD274, ARNT NOTUM 4383/4885TRPC6 3857/4885GPR119 1247/4885
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B NOTUM 1352/4885TRPC6 4599/4885GPR119 4549/4885
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 NOTUM 2465/4885TRPC6 4537/4885GPR119 384/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B NOTUM 1020/4885TRPC6 4444/4885GPR119 4529/4885
US-11746100-B2 Cycloalkyl pyrimidines as ferroportin inhibitors HAMP, SLC40A1, FANCI NOTUM 4393/4885TRPC6 2696/4885GPR119 1285/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 NOTUM 3115/4885TRPC6 3332/4885GPR119 64/4885
US-20140171423-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA NOTUM 1878/4885TRPC6 1271/4885GPR119 4114/4885
US-20130184303-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C NOTUM 3092/4885TRPC6 575/4885GPR119 347/4885
US-20150225409-A1 AGENTS FOR TREATING PAIN AND USES THEREOF ACHE, MPO, CALCA NOTUM 1878/4885TRPC6 1271/4885GPR119 4114/4885

“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.