Sugi Predict

Sugi Predict / Compounds / SCHEMBL3484331

SCHEMBL3484331

SCHEMBL3484331

O=C(O)Nc1cncc(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ APLNR P35414 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BCAT2 O15382 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NQO2 P16083 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 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
SCHEMBL13692813 0.82 LMNA (0.61) KDM4EALDH1A1GAAHPGDLMNA
SCHEMBL1531663 0.79 HCAR2 (0.53) KDM4EALDH1A1ATMHCAR2MAPT
SCHEMBL3935512 0.78 HCAR2 (0.52) KDM4EALDH1A1HPGDCNR1HCAR2
SCHEMBL3007374 0.78 POLB (0.52) KDM4EALDH1A1POLBGAALMNA
SCHEMBL4619906 0.78 RXFP1 (0.43) KDM4EALDH1A1ATMCNR1HCAR2
SCHEMBL28723829 0.78 HCAR2 (0.52) KDM4EALDH1A1LMNACNR1HCAR2
SCHEMBL10574441 0.75 LMNA (0.62) ALDH1A1LMNANQO2
SCHEMBL5779344 0.75 AKT1 (0.39) KDM4EALDH1A1ATMCNR1HCAR2
SCHEMBL16783546 0.75 KDM4E (0.41) KDM4EALDH1A1ATMLMNACNR1
SCHEMBL17161607 0.75 SCN10A (0.43) KDM4EALDH1A1ATMCNR1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN claimed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US claimed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP claimed
US-20240083900-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2024-03-14 — — US disclosed
EP-4244223-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS Biogen MA Inc. (US) 2023-09-20 — — EP disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 — — CN disclosed
WO-2022104079-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2022-05-19 — — WO disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 — — US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 — — EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 — — US disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 — — EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 — — WO disclosed
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 — — EP disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 — — EP disclosed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 — — EP disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 — — US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 — — US disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 — — 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 (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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 KDM4E 1865/4885ALDH1A1 1618/4885POLB 2313/4885
US-20240083900-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BTK, SYK, LYN KDM4E 1210/4885ALDH1A1 3530/4885POLB 3364/4885
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH KDM4E 1156/4885ALDH1A1 113/4885POLB 3428/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 KDM4E 818/4885ALDH1A1 133/4885POLB 3518/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 KDM4E 2420/4885ALDH1A1 1598/4885POLB 2406/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 KDM4E 838/4885ALDH1A1 134/4885POLB 3448/4885

“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.