SCHEMBL836470

SCHEMBL836470

Nc1ncc(C(=O)O)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL28509281 0.84 NNMT (0.47) MAP4K4
SCHEMBL16808037 0.82 ATR (0.37) TPMTGABRPGABRDGABRA1GABRB1
SCHEMBL21912461 0.80 GABRP (0.47) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL30884164 0.79 ALDH1A1 (0.50) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL7216707 0.79 ALDH1A1 (0.50) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL23774876 0.79 MGAM (0.42) TPMTALDH1A1GABRPGABRDGABRA1
SCHEMBL836245 0.78 PDGFRB (0.51) ALDH1A1KDM4ELMNAHSD17B10POLB
SCHEMBL28505548 0.78 SCN9A (0.52) MAP4K4
Hydrochloric Acid SCHEMBL23757654 0.78 MGAM (0.41) TPMTALDH1A1GABRPGABRDGABRA1
SCHEMBL2805912 0.78 GABRP (0.48) ALDH1A1GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662227-B O-aminopyridine alkyne compound and preparation method and application thereof 中国科学院上海药物研究所 2022-07-05 CN disclosed
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
EP-3753935-A1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2020-12-23 EP disclosed
CN-111662227-A O-aminopyridine alkyne compound and preparation method and application thereof 中国科学院上海药物研究所 2020-09-15 CN disclosed
EP-3080105-B1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-09-02 EP disclosed
EP-3080105-B1 SUBSTITUTED DIALKYL(OXIDO)-LAMBDA4-SULFANYLIDENE NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2020-09-02 EP disclosed
CN-105916850-B Substituted dialkyl (oxyalkylene) - Λ as kinase inhibitors4-sulfanylidenenicotinamide derivatives 阿勒根公司 2020-03-20 CN disclosed
CN-105814021-B Substituted nicotinamide derivatives as kinase inhibitors 阿勒根公司 2020-03-13 CN disclosed
EP-3080084-B1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2018-06-13 EP disclosed
EP-3080084-B1 SUBSTITUTED NICOTINAMIDE DERIVATIVES AS KINASE INHIBITORS ALLERGAN INC (US) 2018-06-13 EP disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
WO-2010078393-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-08 WO disclosed
EP-2099757-A2 SULFOXIMINES AS KINASE INHIBITORS Allergan, Inc. (US) 2009-09-16 EP disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed
WO-2008061236-A2 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2008-05-22 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 (2 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-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 TPMT 2587/4885ALDH1A1 2605/4885GABRP 2308/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 TPMT 813/4885ALDH1A1 2320/4885GABRP 2067/4885

“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.