SCHEMBL205481

SCHEMBL205481

Brc1ccc(-c2cnc[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.64
ASIC3 Q9UHC3 2/20 0.64
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP3A4 P08684 3/20 0.63
MAPT P10636 1/20 0.55
LTA4H P09960 1/20 0.55
CYP2D6 P10635 2/20 0.52
CYP2E1 P05181 1/20 0.52
CYP2A6 P11509 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP1A2 P05177 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
HPGDS O60760 1/20 0.47
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL17800997 0.86 IDO1 (0.75) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL12647751 0.81 CYP11B1 (0.70) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL27880327 0.80 IDO1 (0.67) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL482297 0.78 IDO1 (0.64) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL1951516 0.78 IDO1 (1.00) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL872238 0.78 IDO1 (0.64) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL496675 0.78 IDO1 (0.64) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL872388 0.78 POLB (1.00) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL14705340 0.78 IDO1 (0.64) IDO1ASIC3POLBSMN1; SMN2CYP3A4
SCHEMBL17782163 0.78 ASIC3 (1.00) IDO1ASIC3POLBSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
US-20250230168-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. 2025-07-17 US disclosed
WO-2025137640-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-26 WO disclosed
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 US disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 EP disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 US disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
EP-3002281-B1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2017-09-13 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 WO disclosed
EP-0654030-A1 IMIDAZOLE DERIVATIVES HAVING A II ANTAGONIST ACTIVITY. LUSO FARMACO INST (IT) 1995-05-24 EP disclosed
EP-0508999-A1 PHARMACEUTICALLY ACTIVE NORMONYL COMPOUNDS Beecham Group p.l.c. (GB) 1992-10-21 EP disclosed
WO-1991009855-A1 PHARMACEUTICALLY ACTIVE NORMONYL COMPOUNDS BEECHAM GROUP PLC (GB) 1991-07-11 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 (5 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-20250230168-A1 AZASPIRO WRN INHIBITORS WRN, RECQL, BLM IDO1 3136/4885ASIC3 4280/4885POLB 61/4885
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR IDO1 1166/4885ASIC3 1874/4885POLB 991/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR IDO1 1166/4885ASIC3 1874/4885POLB 991/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885ASIC3 4691/4885POLB 2996/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 IDO1 639/4885ASIC3 4803/4885POLB 1632/4885

“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.