Sugi Predict

Sugi Predict / Compounds / SCHEMBL14820115

SCHEMBL14820115

SCHEMBL14820115

CN1C[C@@H](N)[C@H](c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.54
▸ MAOA P21397 7/20 0.54
▸ KDM1A O60341 5/20 0.54
▸ CYP2C19 P33261 4/20 0.54
▸ CYP2B6 P20813 3/20 0.54
▸ SLC6A2 P23975 3/20 0.54
▸ SLC6A3 Q01959 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ TAAR1 Q96RJ0 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ ADRA2A P08913 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54

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
SCHEMBL16649958 1.00 MAOB (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL23269920 1.00 MAOB (0.54) MAOBMAOAKDM1ACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL17075960 0.98 MAOB (0.55) MAOBMAOAKDM1ACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL16964893 0.98 MAOB (0.55) MAOBMAOAKDM1ACYP2C19CYP2B6
Hydrochloric Acid SCHEMBL16964890 0.98 MAOB (0.55) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL14011291 0.85 MEN1 (0.51) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL14011287 0.85 MEN1 (0.51) MAOBMAOAKDM1ACYP2C19CYP2B6
SCHEMBL21748652 0.81 MEN1 (0.50) MEN1KMT2A
SCHEMBL21748655 0.81 MEN1 (0.50) MEN1KMT2A
SCHEMBL21748659 0.81 MEN1 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 — — EP disclosed
EP-2794611-B1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES INC (US) 2017-10-11 — — EP disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 — — US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 — — US disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 — — US disclosed
US-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 — — US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 — — US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 — — US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 — — US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 — — US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 — — US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 — — US disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 — — US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 — — US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 — — 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-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B MAOB 1457/4885MAOA 2136/4885KDM1A 1215/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 MAOB 3358/4885MAOA 3965/4885KDM1A 2668/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B MAOB 1457/4885MAOA 2136/4885KDM1A 1215/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS MAOB 3723/4885MAOA 3512/4885KDM1A 2035/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS MAOB 3723/4885MAOA 3512/4885KDM1A 2035/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS MAOB 3723/4885MAOA 3512/4885KDM1A 2035/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 MAOB 2928/4885MAOA 3669/4885KDM1A 2034/4885

“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.