Sugi Predict

Sugi Predict / Compounds / SCHEMBL3540306

SCHEMBL3540306

SCHEMBL3540306

O=Cc1n[nH]c2ccc(F)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ FADS1 O60427 1/20 0.41
▸ MAP2K4 P45985 3/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ NTRK1 P04629 3/20 0.39
▸ NTRK3 Q16288 3/20 0.39
▸ NTRK2 Q16620 3/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MAPK6 Q16659 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL13183137 0.87 JAK2 (0.44) CHEK1
SCHEMBL13548697 0.86 NTRK1 (0.52) ITKHTR2ANTRK1NTRK3NTRK2
SCHEMBL29935743 0.86 MAP2K4 (0.51) ITKHTR2AMAP2K4MAPK1MAPK6
SCHEMBL3537177 0.86 MAP2K4 (0.51) ITKHTR2AMAP2K4MAPK1MAPK6
SCHEMBL13183135 0.83 DYRK1A (0.47) MAP2K4CHEK1
SCHEMBL29953125 0.80 KIF11 (0.47) ITKMAP2K4NTRK1NTRK3NTRK2
SCHEMBL3534726 0.80 KIF11 (0.47) ITKMAP2K4NTRK1NTRK3NTRK2
SCHEMBL13548694 0.80 NTRK1 (0.55) FADS1NTRK1NTRK3NTRK2MAPK1
SCHEMBL19456995 0.79 NTRK1 (0.43) ITKHTR2AFADS1MAP2K4METAP2
SCHEMBL3541493 0.79 FADS1 (0.45) HTR2AFADS1MAP2K4GAAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 — — CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 — — US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 — — CN disclosed
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 — — CN disclosed
US-12012411-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-18 — — US disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 — — CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 — — US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 — — WO 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 (9 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 ITK 979/4885HTR2A 4274/4885FADS1 3800/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ITK 4277/4885HTR2A 183/4885FADS1 56/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A ITK 1317/4885HTR2A 4620/4885FADS1 3971/4885
US-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK ITK 1055/4885HTR2A 4601/4885FADS1 4168/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ITK 4128/4885HTR2A 269/4885FADS1 204/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ITK 4277/4885HTR2A 183/4885FADS1 56/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 ITK 855/4885HTR2A 3179/4885FADS1 4590/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ITK 4277/4885HTR2A 183/4885FADS1 56/4885
US-12012411-B2 Viral replication inhibitors EIF2AK2, MAVS, ZC3HAV1 ITK 3439/4885HTR2A 4760/4885FADS1 2295/4885

“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.