SCHEMBL356854

SCHEMBL356854

[c]1cccc2nc3ccc4[nH]cccc4c3c12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL28547076 0.81 DYRK1A (0.33) DYRK1ACYP3A4
SCHEMBL8058607 0.78 DYRK1A (0.49) DYRK1ACYP3A4ALDH1A1LMNACYP1A2
SCHEMBL249194 0.78 DYRK1A (0.38) DYRK1ACYP3A4ALDH1A1LMNACYP1A2
SCHEMBL28540640 0.73 DYRK1A (0.37) DYRK1ACYP3A4
SCHEMBL28537969 0.73 DYRK1A (0.37) DYRK1ACYP3A4ALDH1A1LMNACYP1A2
SCHEMBL313794 0.71
SCHEMBL3417389 0.67 NPC1 (0.40) ALDH1A1MAPTSMN1; SMN2NPSR1GPR55
SCHEMBL249195 0.64 DYRK1A (0.45) DYRK1ACYP3A4ALDH1A1LMNACYP1A2
SCHEMBL7199150 0.63 ACHE (0.61) CYP3A4ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL8884724 0.63 KDM4E (0.41) ALDH1A1LMNACYP1A2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140933-A1 CAMPTOTHECIN DERIVATIVE, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD AND USE THEREFOR 长春金赛药业有限责任公司 2024-07-04 WO disclosed
WO-2024104452-A1 MC4R ANTAGONIST COMPOUND, PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL USE THEREOF 长春金赛药业有限责任公司 2024-05-23 WO disclosed
WO-2024067675-A1 FUSED RING KIF18A INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 长春金赛药业有限责任公司 2024-04-04 WO disclosed
WO-2024061357-A1 HARRINGTONINE DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 南开大学 2024-03-28 WO disclosed
WO-2024051755-A1 KIF18A INHIBITOR COMPOUND, AND PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR AND USE THEREOF 长春金赛药业有限责任公司 2024-03-14 WO disclosed
WO-2024046327-A1 P38α-MK2 INHIBITOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF 长春金赛药业有限责任公司 2024-03-07 WO disclosed
CN-111747950-B Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2024-01-23 CN disclosed
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2024-01-11 US disclosed
US-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF SUZHOU YABAO PHARMACEUTICAL R&D CO., LTD. (CN) 2023-12-07 US disclosed
US-20230390410-A1 COMPOUNDS AND COMPOSITIONS FOR IMMUNOTHERAPY BIRDIE BIOPHARMACEUTICALS INC (KY) 2023-12-07 US disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 US disclosed
EP-1465864-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE Warner-Lambert Company LLC (US) 2004-10-13 EP disclosed
US-6716842-B2 NON-INSULIN DEPENDENT DIABETES MELLITUS, OBESITY, HYPERGLYCEMIA, HYPERLIPIDEMIA, HYPERCHOLESTEREMIA, ATHEROSCLEROSIS, HYPERTRIGLYCERIDEMIA, HYPERINSULINEMIA IN A MAMMAL WARNER-LAMBERT COMPANY, LLC 2004-04-06 US disclosed
US-6696474-B2 SUCH AS 8-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-2-PYRROL-1-YL-OCT-4-YNOIC ACID; NONINSULIN DEPENDENT DIABETES MELLITUS WARNER LAMBERT CO. LLC. 2004-02-24 US disclosed
US-20030225083-A1 Antidiabetic agents FAKHOURY STEPHEN A (US) 2003-12-04 US disclosed
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY 2003-12-04 US disclosed
US-20030220381-A1 ANTIDIABETIC AGENTS WARNER-LAMBERT COMPANY, LLC 2003-11-27 US disclosed
US-20030171377-A1 Antidiabetic agents BIGGE CHRISTOPHER FRANKLIN (US) 2003-09-11 US disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 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-20030171377-A1 Antidiabetic agents SLC5A1, SLC5A2, GLP1R DYRK1A 1432/4885CYP3A4 309/4885ALDH1A1 874/4885
US-20030220381-A1 ANTIDIABETIC AGENTS GPR119, GCKR, GLP1R DYRK1A 2690/4885CYP3A4 622/4885ALDH1A1 1434/4885
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 DYRK1A 3148/4885CYP3A4 3653/4885ALDH1A1 741/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 DYRK1A 4675/4885CYP3A4 1036/4885ALDH1A1 2068/4885
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD DYRK1A 3920/4885CYP3A4 1257/4885ALDH1A1 1771/4885
US-20230391775-A1 SUBSTITUTED DIARYLAMINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF LRRK2, COMT, PARK7 DYRK1A 115/4885CYP3A4 1254/4885ALDH1A1 1791/4885
US-20030225158-A1 Compounds that modulate PPAR activity and methods for their preparation GPR119, PPARA, PPARG DYRK1A 3130/4885CYP3A4 3584/4885ALDH1A1 2456/4885
US-20030225083-A1 Antidiabetic agents GPR119, IAPP, SLC5A1 DYRK1A 3316/4885CYP3A4 195/4885ALDH1A1 416/4885
US-20230390410-A1 COMPOUNDS AND COMPOSITIONS FOR IMMUNOTHERAPY CD47, CD274, TP53 DYRK1A 4493/4885CYP3A4 4599/4885ALDH1A1 1617/4885

“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.