SCHEMBL20177012

SCHEMBL20177012

Brc1ccc(I)c2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.46
AXL P30530 1/20 0.46
METAP2 P50579 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL28854543 0.98 NOS1 (0.44) NOS1AXLMETAP2IDO1TDO2
SCHEMBL31148280 0.83 NOS1 (0.52) NOS1AXLMETAP2IDO1TDO2
SCHEMBL14553409 0.83 NOS1 (0.52) NOS1AXLMETAP2IDO1TDO2
SCHEMBL622240 0.83 NOS1 (0.52) NOS1AXLMETAP2IDO1
SCHEMBL29860402 0.80 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2
SCHEMBL3498472 0.80 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2
SCHEMBL29793750 0.76 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2
SCHEMBL30860972 0.76 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2
SCHEMBL15687490 0.76 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2
SCHEMBL3497181 0.76 NOS1 (0.46) NOS1AXLMETAP2IDO1TDO2

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-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
EP-4716685-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-04-01 EP disclosed
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
WO-2024240726-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-11-28 WO disclosed
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 EP disclosed
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
CN-114853723-B Preparation and application of indole compound BTK inhibitor 药雅科技(上海)有限公司 2023-11-24 CN disclosed
CN-115141176-B Acetylenic indole FGFR inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2023-08-22 CN disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
CN-114853723-A Preparation and application of indole compound BTK inhibitor 药雅科技(上海)有限公司 2022-08-05 CN disclosed
EP-3814360-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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 (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-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TLR1, TLR6, TLR8 NOS1 3135/4885AXL 688/4885METAP2 2335/4885
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 NOS1 2108/4885AXL 2103/4885METAP2 3210/4885
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 NOS1 4588/4885AXL 4798/4885METAP2 2095/4885
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM4, CHRM2 NOS1 1757/4885AXL 2268/4885METAP2 3470/4885

“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.