SCHEMBL1748458

SCHEMBL1748458

O=C1NC(=O)C2CNCC12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CCR5 P51681 1/20 0.32
MAP3K14 Q99558 1/20 0.31

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
SCHEMBL1748796 1.00 HTR2A (0.32) HTR2AHTR2CHTR2BCCR5MAP3K14
Hydrochloric Acid SCHEMBL7008388 0.97 HTR2A (0.34) HTR2AHTR2CHTR2BCCR5
SCHEMBL29080159 0.82 PNMT (0.31)
SCHEMBL30600144 0.81 ALDH1A1 (0.37) HTR2AHTR2CHTR2BCCR5
SCHEMBL24535981 0.81 ALDH1A1 (0.37) HTR2AHTR2CHTR2BCCR5
Trifluoroacetic Acid SCHEMBL7006009 0.80 SLC6A2 (0.34)
SCHEMBL3628793 0.73 MAP3K14 (0.33) MAP3K14
SCHEMBL18545242 0.73 MAP3K14 (0.33) MAP3K14
SCHEMBL455753 0.73
SCHEMBL30249644 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors AVENTIS PHARMA S.A. (FR) 2007-04-26 US claimed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
EP-0728758-B1 Dioxopyrrolo-pyrrole derivatives HOFFMANN LA ROCHE (CH) 2003-10-15 EP claimed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-5686459-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-11-11 US claimed
US-20260035389-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-02-05 US disclosed
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2026-01-15 US disclosed
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 US disclosed
WO-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 WO disclosed
US-12421253-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-09-23 US disclosed
US-12398154-B2 Azaquinazoline pan-KRas inhibitors Mirati Therapeutics, Inc. (US) 2025-08-26 US disclosed
EP-4540254-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
WO-2002044181-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-06 WO disclosed
EP-1122257-A1 Benzimidazole compounds as ORL1-receptor agonists PFIZER INC. (US) 2001-08-08 EP disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed
US-5686459-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1997-11-11 US disclosed
EP-0728758-A1 Dioxopyrrolo-pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1996-08-28 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 (7 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-12421253-B2 Tetrahydropyridopyrimidine pan-KRas inhibitors KRAS, NRAS, HRAS HTR2A 4695/4885HTR2C 4531/4885HTR2B 4533/4885
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents HRH4, IL4I1, HRH2 HTR2A 1846/4885HTR2C 956/4885HTR2B 1254/4885
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HTR2A 4695/4885HTR2C 4531/4885HTR2B 4533/4885
US-20260015350-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HTR2A 4594/4885HTR2C 3093/4885HTR2B 4659/4885
US-12398154-B2 Azaquinazoline pan-KRas inhibitors KRAS, NRAS, HRAS HTR2A 4753/4885HTR2C 4397/4885HTR2B 4690/4885
US-20260035389-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS HTR2A 4756/4885HTR2C 3286/4885HTR2B 4694/4885
US-20070093480-A1 Novel pyrrolo (2,3-b)pyridine derivatives, the preparation and the pharmaceutical use thereof in the form of kinase inhibitors MAP3K19, MAP4K2, MAP3K1 HTR2A 2906/4885HTR2C 2144/4885HTR2B 1972/4885

“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.