SCHEMBL443810

SCHEMBL443810

c1cc(-c2c[nH]cn2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
IDO1 P14902 1/20 0.42
MAPK1 P28482 5/20 0.38
KDM5B Q9UGL1 1/20 0.38
NOTUM Q6P988 1/20 0.37
DYRK1A Q13627 1/20 0.36
CYP19A1 P11511 1/20 0.36
PDPK1 O15530 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GSK3B P49841 1/20 0.35
GAA P10253 1/20 0.34

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
Hydrochloric Acid SCHEMBL17275840 0.98 MAPT (0.42) MAPTLMNAIDO1MAPK1KDM5B
Hydrochloric Acid SCHEMBL2692043 0.98 MAPT (0.42) MAPTLMNAIDO1MAPK1KDM5B
SCHEMBL30397945 0.91 MAPT (0.40) MAPTLMNAIDO1MAPK1KDM5B
SCHEMBL20054187 0.83 AKT1 (0.30)
SCHEMBL29445960 0.82 CYP2D6 (0.46) MAPTCYP3A4CYP2D6CYP2C9GSK3B
SCHEMBL37563 0.79 KMT2A (0.42) MAPTIDO1RAB9ACYP1A2CYP3A4
SCHEMBL25081229 0.78 PRMT5 (0.45) NPC1RAB9ACYP3A4CYP2D6MAPK14
Bromide SCHEMBL28947954 0.77 KMT2A (0.41) MAPTIDO1RAB9ACYP1A2CYP3A4
Water SCHEMBL28123763 0.77 KMT2A (0.41) MAPTIDO1RAB9ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL11060859 0.77 KMT2A (0.41) MAPTIDO1RAB9ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9207234-B2 Thermally stable SERS taggants SICPA HOLDING SA (CH) 2015-12-08 US claimed
EP-2433121-A1 THERMALLY STABLE SERS TAGGANTS Cabot Security Materials Inc. (US) 2012-03-28 EP claimed
US-20120062886-A1 Thermally Stable SERS Taggants CABOT SECURITY MATERIALS INC. (US) 2012-03-15 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN claimed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP claimed
WO-2010135351-A1 THERMALLY STABLE SERS TAGGANTS OXONICA MATERIALS INC. (US) 2010-11-25 WO claimed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO claimed
US-20240228465-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-11919881-B2 Substituted pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-03-05 US disclosed
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-29 US disclosed
US-20220315561-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
EP-4045491-A1 SUBSTITUTED AZACYLES AS TRMP8 MODULATORS Givaudan SA (CH) 2022-08-24 EP disclosed
EP-4031531-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-1993020061-A1 4-[4'-PIPERIDINYL OR 3'-PIRROLIDINYL] SUBSTITUTED IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS AND THERAPEUTIC USES THEREOF THE UNIVERSITY OF TOLEDO (US) 1993-10-14 WO disclosed
WO-1993020062-A1 PROCESS FOR THE PREPARATION OF 4-PYRIDYL- AND 4-PIPERIDINYLIMIDAZOLES USEFUL AS INTERMEDIATES FOR THE SYNTHESIS OF HISTAMINE RECEPTOR ANTAGONISTS THE UNIVERSITY OF TOLEDO (US) 1993-10-14 WO disclosed
EP-0507650-A1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1992-10-07 EP disclosed
EP-0051371-B1 IMIDAZOLYLPYRIDINE THERAPEUTIC AGENTS PFIZER INC. (US) 1984-08-29 EP disclosed
EP-0051371-A2 Imidazolylpyridine therapeutic agents PFIZER INC. (US) 1982-05-12 EP disclosed
US-4302464-A ANTIULCER AGENTS, ANTI-H2-HISTAMINES PFIZER INC. (US) 1981-11-24 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 (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-20240228465-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F11, F2, KLKB1 MAPT 4539/4885LMNA 1696/4885IDO1 347/4885
US-11919881-B2 Substituted pyridine N-oxide derivatives useful as a factor XIa inhibitors F11, F2, KLKB1 MAPT 4539/4885LMNA 1696/4885IDO1 347/4885
US-20220315561-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F11, F2, KLKB1 MAPT 4539/4885LMNA 1696/4885IDO1 347/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT MAPT 3678/4885LMNA 4867/4885IDO1 1/4885
US-20220411388-A1 SUBSTITUTED IMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GAA, CLN6 MAPT 217/4885LMNA 882/4885IDO1 266/4885

“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.