SCHEMBL188005

SCHEMBL188005

N#Cc1cc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
NPC1 O15118 3/20 0.47
CYP2D6 P10635 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CDK5R1 Q15078 1/20 0.45
DYRK2 Q92630 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
IDO1 P14902 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL22926278 0.81 EGFR (0.38) CYP19A1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL723282 0.77 AOC3 (0.48) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
SCHEMBL29763767 0.77 AOC3 (0.48) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4591535 0.76 AOC3 (0.50) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
Selenium SCHEMBL29517759 0.76 FLT3 (0.47) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30405205 0.76 AOC3 (0.50) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
Hydrogen Sulfide SCHEMBL29238602 0.76 AOC3 (0.47) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7697249 0.76 AOC3 (0.50) CYP19A1NPC1CYP2D6SLC6A2SLC6A4
SCHEMBL17199995 0.73 IDH1 (0.49) CYP19A1NPC1DYRK1ARAB9AKDM4E
SCHEMBL5797966 0.73 PTGS2 (0.60) CYP19A1NPC1GSK3BDYRK3CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8829040-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
CN-101679251-B (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL 2013-10-02 CN disclosed
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US disclosed
EP-2133332-B1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-09-18 EP disclosed
EP-2402314-B1 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8466152-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-06-18 US disclosed
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-22 US disclosed
US-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
CN-101679251-A (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL 2010-03-24 CN disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2133332-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 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 (4 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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 CYP19A1 1095/4885NPC1 3301/4885CYP2D6 213/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 CYP19A1 1095/4885NPC1 3301/4885CYP2D6 213/4885
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 CYP19A1 1095/4885NPC1 3301/4885CYP2D6 213/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 CYP19A1 1095/4885NPC1 3301/4885CYP2D6 213/4885

“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.