Sugi Predict

Sugi Predict / Compounds / SCHEMBL188335

SCHEMBL188335

SCHEMBL188335

CN(C)C(=O)c1cccc(Br)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KDM4A O75164 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ACMSD Q8TDX5 1/20 0.39
▸ MBOAT4 Q96T53 1/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL30911644 1.00 GRM5 (0.47) GRM5ALDH1A1HPGDKDM4ATDP1
SCHEMBL18157885 0.86 TDP1 (0.52) ALDH1A1HPGDKDM4ATDP1KDM4E
SCHEMBL16142861 0.82 CNR2 (0.46) GRM5ALDH1A1HPGDTDP1KDM4E
SCHEMBL4088056 0.82 GRM5 (0.43) GRM5ALDH1A1HPGDTDP1KDM4E
SCHEMBL2563989 0.82 HPGD (0.44) GRM5ALDH1A1HPGDTDP1KDM4E
SCHEMBL10258703 0.80 ALDH1A1 (0.46) GRM5ALDH1A1HPGDKDM4ATDP1
SCHEMBL19151565 0.80 CYP1A2 (0.44) GRM5ALDH1A1HPGDTDP1KDM4E
SCHEMBL21990531 0.79 GRM5 (0.43) GRM5ALDH1A1HPGDTDP1KDM4E
SCHEMBL17713102 0.78 KDM4E (0.68) ALDH1A1KDM4ATDP1KDM4EALOX15
SCHEMBL8575197 0.78 P2RX7 (0.55) GRM5KDM4ATDP1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4392415-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2024-07-03 — — EP disclosed
US-11981658-B2 Substituted aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2024-05-14 — — US disclosed
US-20230086884-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-23 — — US disclosed
WO-2023027518-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-02 — — WO disclosed
EP-3312173-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA KIRIN CO LTD (JP) 2021-12-22 — — EP disclosed
EP-3572413-B1 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE DERIVATIVE AS WEE1 INHIBITOR SHIJIAZHUANG SAGACITY NEW DRUG DEV CO LTD (CN) 2021-11-03 — — EP disclosed
US-11066393-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2021-07-20 — — US disclosed
US-11066393-B2 Indolin-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2021-07-20 — — US disclosed
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-24 — — US disclosed
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-09-24 — — US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 — — US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 — — WO disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 — — US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 — — US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 — — EP disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 — — EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 — — US disclosed
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 — — US disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 — — 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 (7 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-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 GRM5 1337/4885ALDH1A1 755/4885HPGD 2557/4885
US-11981658-B2 Substituted aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 GRM5 736/4885ALDH1A1 2639/4885HPGD 2400/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 GRM5 404/4885ALDH1A1 2997/4885HPGD 2101/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 GRM5 1337/4885ALDH1A1 755/4885HPGD 2557/4885
US-11066393-B2 Indolin-2-one derivatives GRIN2B, GRIN2A, TPH2 GRM5 110/4885ALDH1A1 599/4885HPGD 2366/4885
US-20200299278-A1 INDOLIN-2-ONE DERIVATIVES GRIN2B, GRIN2A, TPH2 GRM5 110/4885ALDH1A1 599/4885HPGD 2366/4885
US-20230086884-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 GRM5 736/4885ALDH1A1 2639/4885HPGD 2400/4885

“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.