Sugi Predict

Sugi Predict / Compounds / SCHEMBL580392

SCHEMBL580392

SCHEMBL580392

Cc1cc(C(N)=O)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.48
▸ CHEK2 O96017 2/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ AR P10275 1/20 0.45
▸ MPL P40238 2/20 0.44
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 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
Hydrochloric Acid SCHEMBL27709063 0.98 PARP1 (0.47) PARP1CHEK2PIM1ARMPL
SCHEMBL2098198 0.83 PIM1 (0.46) CHEK2PIM1CES2CES1HDAC1
SCHEMBL377212 0.83 HDAC1 (0.61) PARP1CES2CES1HDAC1HDAC6
SCHEMBL4355959 0.83 SMN1; SMN2 (0.53) PIM1CES2CES1HDAC1HDAC6
Hydrochloric Acid SCHEMBL7019805 0.82 HDAC1 (0.59) PARP1CES2CES1HDAC1HDAC6
SCHEMBL30368186 0.81 MAOA (0.44) CHEK2PIM1CES2CES1HDAC1
SCHEMBL385343 0.81 LMNA (0.53) PIM1CES2CES1HDAC1HDAC6
SCHEMBL1924482 0.81 PIM1 (0.47) PIM1CES2CES1HDAC1HDAC6
SCHEMBL29602493 0.81 PIM1 (0.47) PIM1CES2CES1HDAC1HDAC6
SCHEMBL12182355 0.81 ERN1 (0.56) PARP1MPLERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 — — CN claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 — — EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 — — US claimed
EP-2398769-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2011-12-28 — — EP claimed
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 — — US claimed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 — — US claimed
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO claimed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 — — US claimed
WO-2010094678-A1 NOVEL ORTHO-AMINOAMIDES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO claimed
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-08-26 — — US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 — — EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 — — WO claimed
EP-1848713-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-31 — — EP claimed
CN-1867572-A proteasome inhibitors and methods of use thereof CEPHALON INC (US) 2006-11-22 — — CN claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 — — US claimed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US claimed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 — — EP claimed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 — — WO claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 — — US claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 — — WO 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 (6 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 PARP1 4354/4885CHEK2 3984/4885PIM1 3732/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 PARP1 4842/4885CHEK2 2940/4885PIM1 3908/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 PARP1 956/4885CHEK2 1684/4885PIM1 1723/4885
US-20100216806-A1 ORTHO AMINOAMIDES FOR THE TREATMENT OF CANCER HDAC5, HDAC1, HDAC4 PARP1 2823/4885CHEK2 542/4885PIM1 3894/4885
US-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 PARP1 3341/4885CHEK2 2879/4885PIM1 3507/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 PARP1 956/4885CHEK2 1684/4885PIM1 1723/4885

“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.