Sugi Predict

Sugi Predict / Compounds / SCHEMBL15401178

SCHEMBL15401178

SCHEMBL15401178

Nc1ncc2ccccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ F12 P00748 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ NCF1 P14598 1/20 0.45
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ PDPK1 O15530 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ PI4KA P42356 2/20 0.40
▸ PI4K2B Q8TCG2 2/20 0.40
▸ PI4K2A Q9BTU6 2/20 0.40
▸ PI4KB Q9UBF8 2/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39

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
SCHEMBL12491150 0.80 PLAU (0.44) KDM4EGPR3F12PLAUNCF1
SCHEMBL16552260 0.78 KDM4E (0.50) KDM4EGPR3F12PLAUNCF1
SCHEMBL30901311 0.78 KDM4E (0.50) KDM4EGPR3F12PLAUNCF1
SCHEMBL28301397 0.78 KDM4E (0.50) KDM4EGPR3F12PLAUNCF1
SCHEMBL25170252 0.75 KDM4E (0.47) KDM4EGPR3PDPK1POLBALDH1A1
SCHEMBL7315366 0.75 POLB (0.50) KDM4EGPR3PLAUPDPK1POLB
SCHEMBL38666100 0.75 KDM4E (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL3293976 0.75 KDM4E (0.47) KDM4EGPR3F12PLAUNCF1
SCHEMBL30820060 0.75 GPR3 (0.47) KDM4EGPR3POLBALDH1A1MAPT
SCHEMBL112386 0.75 GPR3 (0.47) KDM4EGPR3POLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 — — CN disclosed
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — US disclosed
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — US disclosed
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-05-11 — — US disclosed
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 — — WO disclosed
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 — — US disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 — — US disclosed
EP-2896613-B1 SULFONAMIDE COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2018-03-21 — — EP disclosed
EP-2686302-B1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORP (JP) 2016-08-10 — — EP disclosed
US-20150307454-A1 Sulfonamide Compound KALLYOPE, INC. 2015-10-29 — — US disclosed
US-20150307454-A1 Sulfonamide Compound KALLYOPE, INC. 2015-10-29 — — US disclosed
US-20150307454-A1 Sulfonamide Compound KALLYOPE, INC. 2015-10-29 — — US disclosed
US-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-06 — — US disclosed
EP-2896613-A1 SULFONAMIDE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-07-22 — — EP disclosed
EP-2896613-A1 SULFONAMIDE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2015-07-22 — — EP disclosed
US-8987445-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-24 — — US disclosed
WO-2014042238-A1 SULFONAMIDE COMPOUND 田辺三菱製薬株式会社 (JP) 2014-03-20 — — WO disclosed
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY KALLYOPE, INC. 2014-01-02 — — 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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885GPR3 2355/4885F12 1971/4885
US-20230142913-A1 TRICYCLIC HETEROARENES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CDK1, CSNK1A1, CSNK1G1 KDM4E 2466/4885GPR3 2898/4885F12 3097/4885
US-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 KDM4E 2380/4885GPR3 368/4885F12 3729/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885GPR3 2355/4885F12 1971/4885
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 KDM4E 4646/4885GPR3 161/4885F12 238/4885
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 KDM4E 2496/4885GPR3 338/4885F12 3671/4885
US-20150307454-A1 Sulfonamide Compound TRPM8, TRPM5, TRPM7 KDM4E 1150/4885GPR3 718/4885F12 669/4885

“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.