Sugi Predict

Sugi Predict / Compounds / SCHEMBL5113337

SCHEMBL5113337

SCHEMBL5113337

O=[C]N(c1ccccn1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ CCR5 P51681 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ METAP1 P53582 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL9183264 0.90 ALDH1A1 (0.44) CYP2D6CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL16320531 0.80 NPSR1 (0.48) ALDH1A1RAB9AKMT2AHTTNPSR1
SCHEMBL1448809 0.80 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL316609 0.78 CYP2D6 (0.48) CYP2D6CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL16320389 0.76 NPC1 (0.40) CYP2D6ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3666841 0.74 TSHR (0.47) ALDH1A1NPC1RAB9AKMT2AHSD17B10
SCHEMBL8568023 0.74 HTT (0.38) CYP2D6CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL1186136 0.74 CYP2D6 (0.41) CYP2D6CYP2C19ALDH1A1NPC1RAB9A
SCHEMBL1185718 0.74 CYP2D6 (0.44) CYP2D6CYP2C19ALDH1A1KMT2ASMN1; SMN2
SCHEMBL6638291 0.74 ALDH1A1 (0.41) CYP2D6CYP2C19ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 — — US disclosed
CN-106957317-B Novel pyrazole derivatives 持田制药株式会社 2019-12-31 — — CN disclosed
EP-3564334-A1 ALDEHYDE SCAVENGER AND ALDEHYDE REMOVAL METHOD Tosoh Corporation (JP) 2019-11-06 — — EP disclosed
US-9777000-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2017-10-03 — — US disclosed
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 — — US disclosed
US-9458157-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-10-04 — — US disclosed
US-9453015-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 — — US disclosed
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 — — US disclosed
EP-2963037-A1 NOVEL PYRAZOLE DERIVATIVE Mochida Pharmaceutical Co., Ltd. (JP) 2016-01-06 — — EP disclosed
US-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-06-18 — — US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 — — US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 — — US disclosed
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 — — US disclosed
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2014-12-25 — — US disclosed
US-7332492-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2008-02-19 — — US disclosed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 — — US disclosed
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-09-22 — — US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 — — US disclosed
US-4783472-A 1H,3H-pyrrol[1,2-c]thiazole derivatives and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1988-11-08 — — US disclosed
US-4783472-A 1H,3H-pyrrol[1,2-c]thiazole derivatives and pharmaceutical compositions containing them RHONE-POULENC SANTE (FR) 1988-11-08 — — 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 (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-20150166536-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP2D6 485/4885CYP2C19 134/4885ALDH1A1 387/4885
US-20050209233-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor NPY5R, NPY1R, NPY2R CYP2D6 1736/4885CYP2C19 1228/4885ALDH1A1 3658/4885
US-20140378447-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP2D6 485/4885CYP2C19 134/4885ALDH1A1 387/4885
US-20160347751-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP2D6 485/4885CYP2C19 134/4885ALDH1A1 387/4885
US-20140378448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A CYP2D6 485/4885CYP2C19 134/4885ALDH1A1 387/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R CYP2D6 2011/4885CYP2C19 1829/4885ALDH1A1 3792/4885

“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.