SCHEMBL2643055

SCHEMBL2643055

CN1C(=O)Cc2cc(S)ccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
BMPR1B O00238 5/20 0.46
BMPR1A P36894 5/20 0.46
ACVRL1 P37023 5/20 0.46
ACVR1 Q04771 5/20 0.46
PKM P14618 4/20 0.46
SMYD3 Q9H7B4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.44
TGFBR1 P36897 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL8556144 0.84 CYP11B2 (0.51) TRIM24
SCHEMBL30222138 0.79 TRIM24 (0.54) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL434054 0.79 TRIM24 (0.54) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL30667271 0.78 PKM (0.49) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL1925311 0.78 PKM (0.59) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL16506973 0.78 TRIM24 (0.49) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL8999096 0.78 TRIM24 (0.49) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL520157 0.78 TRIM24 (0.49) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL746154 0.78 IDO1 (0.57) TRIM24ALDH1A1GAABMPR1BBMPR1A
SCHEMBL8287657 0.78 PKM (0.49) TRIM24ALDH1A1GAABMPR1BBMPR1A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117551057-A Benzo ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-02-13 CN disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 EP disclosed
EP-0623614-B1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5512594-A ADMINISTERING TO TREAT A MEDICAL CONDITION MEDIATED BY ONE OR MORE LEUKOTRIENES ZENECA LIMITED (GB) 1996-04-30 US disclosed
US-5478842-A Antiinflammatory agents, antiallergens, drugs for treatment of diseases mediated by leukotrienes ZENECA LIMITED (GB) 1995-12-26 US disclosed
WO-1994025453-A1 4-ARYL-4-HYDROXY-TETRAHYDROPYRANS AND 3-ARYL-3-HYDROXY-TETRAHYDROFURANS AS 5-LIPOXYGENASE INHIBITORS ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0623614-A1 4-Aryl-4-hydroxy-tetrahydropyrans and 3-aryl-3-hydroxy-tetrahydrofurans as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-11-09 EP 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 (3 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TRIM24 4135/4885ALDH1A1 1207/4885GAA 481/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TRIM24 4134/4885ALDH1A1 1249/4885GAA 482/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TRIM24 4135/4885ALDH1A1 1207/4885GAA 481/4885

“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.