SCHEMBL791723

SCHEMBL791723

FC(F)(F)c1cn[c]nc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 1/20 0.33
BACE1 P56817 1/20 0.30
KMT2A Q03164 1/20 0.30
METAP2 P50579 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL17103530 0.78
SCHEMBL16593967 0.78
SCHEMBL1896080 0.76 KIF11 (0.56) ALDH1A1KIF11
SCHEMBL1892139 0.70 IDO1 (0.50) ALDH1A1TSHRKIF11
SCHEMBL6482308 0.69
SCHEMBL133335 0.69 ALDH1A1 (0.35) ALDH1A1TSHRKIF11BACE1KMT2A
SCHEMBL2120862 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL403256 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1038150 0.67 CYP19A1 (0.52) ALDH1A1TSHRKIF11METAP2
SCHEMBL944873 0.66 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US claimed
CN-114621209-B 1,2, 3-Thiadiazole acetonitrile derivatives, and preparation method and application thereof 南开大学 2024-06-14 CN claimed
US-20240190844-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2024-06-13 US claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
US-20240034728-A1 PYRIDAZINONES AS PARP7 INHIBITORS RIBON THERAPEUTICS, INC. 2024-02-01 US claimed
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS TENVIE THERAPEUTICS, INC. 2023-12-28 US claimed
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-31 US claimed
CN-116969925-A Heteroaryl-triazole compounds 拜耳公司 2023-10-31 CN claimed
CN-116925043-A Heteroaryl-triazole compounds 拜耳公司 2023-10-24 CN claimed
EP-4247376-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Denali Therapeutics Inc. (US) 2023-09-27 EP claimed
EP-1885701-A2 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES Novartis Vaccines and Diagnostics, Inc. (US) 2008-02-13 EP claimed
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones CHIRON CORPORATION 2007-05-31 US claimed
WO-2007041362-A1 2-AMINO-7,8-DIHYDRO-6H-PYRIDO[4,3-D] PYRIMIDIN-5-ONES NOVARTIS AG (CH) 2007-04-12 WO claimed
US-20070027150-A1 2-Amino-quinazolin-5-ones NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2007-02-01 US claimed
WO-2006113498-A2 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-10-26 WO claimed
EP-0912090-A4 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORP (US) 2000-05-17 EP claimed
EP-0912090-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4- BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1999-05-06 EP claimed
US-5795901-A Insecticidal N-(substituted arylmethyl)-4- bis(substituted aryl)hydroxymethyl!piperidinium salts FMC CORPORATION (US) 1998-08-18 US claimed
WO-1998000015-A1 INSECTICIDAL N-(SUBSTITUTED ARYLMETHYL)-4-[BIS(SUBSTITUTED ARYL) HYDROXYMETHYL]PIPERIDINIUM SALTS FMC CORPORATION (US) 1998-01-08 WO claimed
EP-0003648-A2 4-Aryloxy-substituted phenoxypropionamide derivatives useful as herbicides, compositions containing them, and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 ALDH1A1 700/4885TSHR 639/4885KIF11 4359/4885
US-20240190844-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 ALDH1A1 1033/4885TSHR 3587/4885KIF11 2149/4885
US-20070123546-A1 2-amino-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-ones TYMP, TPMT, TYMS ALDH1A1 1413/4885TSHR 1769/4885KIF11 3749/4885
US-20230416205-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NLRP3, NLRP1, NOD1 ALDH1A1 4711/4885TSHR 4226/4885KIF11 4301/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 472/4885TSHR 1023/4885KIF11 3684/4885
US-11802111-B2 Cyclobutyl amide monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 450/4885TSHR 1036/4885KIF11 3646/4885
US-20070027150-A1 2-Amino-quinazolin-5-ones TK1, TK2, SLC1A5 ALDH1A1 1718/4885TSHR 3962/4885KIF11 1972/4885
US-20240034728-A1 PYRIDAZINONES AS PARP7 INHIBITORS PARP2, PARP1, PARP4 ALDH1A1 1033/4885TSHR 3587/4885KIF11 2149/4885

“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.