Sugi Predict

Sugi Predict / Compounds / SCHEMBL2225874

SCHEMBL2225874

SCHEMBL2225874

c1ccc(-c2ccnc(N3CCNCC3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ACHE P22303 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ SORD Q00796 1/20 0.54
▸ ADRB1 P08588 1/20 0.54
▸ HPGD P15428 1/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.50
▸ PIK3CA P42336 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ HSP90AB1 P08238 1/20 0.48
▸ DKK1 O94907 1/20 0.48
▸ CETP P11597 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ HTR1A P08908 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ POLB P06746 1/20 0.47

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 SCHEMBL3272283 0.98 ALDH1A1 (0.57) KMT2AATMACHEALDH1A1KDM4E
SCHEMBL27062787 0.85 HSP90AA1 (0.50) ACHEALDH1A1KDM4EADRB1PIK3CA
SCHEMBL3652486 0.84 DKK1 (0.69) KMT2AATMACHEALDH1A1KDM4E
SCHEMBL14507090 0.84 ALDH1A1 (0.60) ACHEALDH1A1KDM4ESORDHPGD
Hydrochloric Acid SCHEMBL3275509 0.84 ADRB1 (0.54) KMT2AATMACHEALDH1A1KDM4E
Hydrochloric Acid SCHEMBL3270101 0.82 PIK3CA (0.51) KMT2AATMACHEALDH1A1KDM4E
SCHEMBL1275203 0.81 SORD (0.61) ACHEALDH1A1KDM4ESORDHCAR2
SCHEMBL30718239 0.81 CHRNB2 (0.53) ACHEALDH1A1KDM4EADRB1HPGD
SCHEMBL27029440 0.81 CHRNB2 (0.53) ACHEALDH1A1KDM4EADRB1HPGD
SCHEMBL3534834 0.81 SMARCA2 (0.53) ACHEALDH1A1KDM4EADRB1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2022-03-10 — — US disclosed
US-11008316-B2 Glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2021-05-18 — — US disclosed
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2018-03-08 — — US disclosed
US-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORPORATION (US) 2015-07-30 — — US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 — — US disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 — — EP disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 — — EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 — — US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 — — US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 — — EP disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 — — US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 — — US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 — — WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 — — US 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-20150210681-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA KMT2A 2721/4885ATM 2403/4885ACHE 3555/4885
US-20180065957-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA KMT2A 2721/4885ATM 2403/4885ACHE 3555/4885
US-11008316-B2 Glucosylceramide synthase inhibitors GBA1, GBA2, GAA KMT2A 3358/4885ATM 2524/4885ACHE 3941/4885
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS KMT2A 1738/4885ATM 3845/4885ACHE 2933/4885
US-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B KMT2A 2762/4885ATM 1575/4885ACHE 394/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS KMT2A 1738/4885ATM 3845/4885ACHE 2933/4885
US-20220073508-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GBA1, GBA2, GAA KMT2A 2721/4885ATM 2403/4885ACHE 3555/4885

“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.