SCHEMBL2570139

SCHEMBL2570139

CC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 5/20 0.68
▸ PRMT3 O60678 5/20 0.60
▸ ROCK2 O75116 6/20 0.57
▸ ROCK1 Q13464 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ GLA P06280 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ TNNI3 P19429 1/20 0.56
▸ TNNT2 P45379 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ TNNC1 P63316 1/20 0.56
▸ RUNX1 Q01196 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CBFB Q13951 1/20 0.56
▸ NOTUM Q6P988 2/20 0.55
▸ MAPK10 P53779 1/20 0.53

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
SCHEMBL31514965 1.00 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL30645380 1.00 IMPDH2 (0.68) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL30579695 0.85 IMPDH2 (0.72) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL20262924 0.84 KDM4E (0.66) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL30176801 0.84 KDM4E (0.66) IMPDH2PRMT3ROCK2ROCK1KDM4E
SCHEMBL8577441 0.84 MEN1 (0.68) ROCK2ROCK1KDM4EMEN1NPC1
SCHEMBL19900450 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1
SCHEMBL31235417 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1
SCHEMBL19860057 0.83 IMPDH2 (0.66) IMPDH2PRMT3ROCK2ROCK1NOTUM
SCHEMBL12059122 0.83 IMPDH2 (0.63) IMPDH2PRMT3ROCK2ROCK1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 — — US disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 — — EP disclosed
EP-3811943-B1 COMPOUND FOR USE IN THE TREATMENT OF OCULAR DISORDERS AERIE PHARMACEUTICALS INC (US) 2023-02-22 — — EP disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — US disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 — — US disclosed
WO-2021114313-A1 ION CHANNEL ANTAGONISTS/BLOCKERS AND USES THEREOF SHANGHAI EAST HOSPITAL (CN) 2021-06-17 — — WO disclosed
EP-3461484-B9 DIMESYLATE SALTS OF 4-(3-AMINO-1-(ISOQUINOLIN-6-YLAMINO)-1-OXOPROPAN-2-YL)BENZYL, THEIR COMBINATIONS WITH PROSTAGLANDINS AND THE USE THEREOF IN THE TREATMENT OF OCULAR DISORDERS AERIE PHARMACEUTICALS INC (US) 2021-06-09 — — EP disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 — — US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 — — EP disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 — — WO disclosed
US-20070191434-A1 Inhibitors of bacterial IMPDH VERTEX PHARMACEUTICALS INCORPORATED 2007-08-16 — — US disclosed
EP-1818334-A1 ANTI-TRYPANOSOMIASIS AGENT Japan Science and Technology Agency (JP) 2007-08-15 — — EP disclosed
EP-1800682-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF PARASITIC PROTOZOAN INFECTION Japan Science and Technology Agency (JP) 2007-06-27 — — EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 — — WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 — — US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 — — US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 — — 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 (8 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D IMPDH2 1225/4885PRMT3 4832/4885ROCK2 4748/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 IMPDH2 2094/4885PRMT3 281/4885ROCK2 2066/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 IMPDH2 236/4885PRMT3 1452/4885ROCK2 3/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 IMPDH2 236/4885PRMT3 1452/4885ROCK2 3/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D IMPDH2 1225/4885PRMT3 4832/4885ROCK2 4748/4885
US-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 IMPDH2 2129/4885PRMT3 207/4885ROCK2 2090/4885
US-20070191434-A1 Inhibitors of bacterial IMPDH IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885PRMT3 2140/4885ROCK2 2103/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 IMPDH2 2220/4885PRMT3 3915/4885ROCK2 4863/4885

“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.

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