SCHEMBL112386

SCHEMBL112386

Cc1ncc2ccccc2c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP2A6 P11509 5/20 0.45
CYP1A2 P05177 4/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.34
PRKCI P41743 1/20 0.34
PDE4B Q07343 1/20 0.34
HPGD P15428 1/20 0.34
NUDT1 P36639 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 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
SCHEMBL30820060 1.00 GPR3 (0.47) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL16552260 0.78 KDM4E (0.50) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL12258315 0.78 GPR3 (0.50) GPR3KDM4ECYP2A6CYP1A2ALDH1A1
SCHEMBL30901311 0.78 KDM4E (0.50) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL17942817 0.77 KDM4E (0.48) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL25170252 0.75 KDM4E (0.47) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL15401178 0.75 KDM4E (0.47) GPR3KDM4ECYP1A2POLBALDH1A1
SCHEMBL7315366 0.75 POLB (0.50) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL28483779 0.75 KDM4E (0.47) GPR3KDM4ECYP2A6CYP1A2POLB
SCHEMBL16144709 0.75 GPR3 (0.47) GPR3KDM4ECYP2A6CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441727-B2 Tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2025-10-14 US disclosed
US-20240182444-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-06 US disclosed
EP-4367117-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2024-05-15 EP disclosed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
CN-117881680-A Tricyclic compounds as KRAS inhibitors 因赛特公司 2024-04-12 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
US-20230056631-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2023-02-23 US disclosed
WO-2006029769-A1 NOVEL 3-METHYL-7-BUTINYL-XANTHINES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-23 WO disclosed
EP-0975602-B1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2005-06-15 EP disclosed
US-6777426-B2 SELECTIVE AGONISTS FOR HUMAN ALPHA 2 ADRENERGIC RECEPTORS; TREATING PAIN, MIGRAINE, HEADACHES, GLAUCOMA; 2-(INDAN-5-YL)AMINO-2-IMIDAZOLINE FOR EXAMPLE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-08-17 US disclosed
EP-0975602-A4 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF GRUENENTHAL GMBH (DE) 2003-01-22 EP disclosed
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-02-14 US disclosed
US-6294566-B1 ENANTIOMORPHS REVERSE AND ADRENERGIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-09-25 US disclosed
US-6093727-A A SELECTIVE AGONISTS FOR HUMAN ALPHA 2 RECEPTORS FOR TREATING DISORDERS AS HYPERTENSION, PAIN, GLAUCOMA, ALCOHOL AND DRUG WITHDRAWAL, ISCHEMIA, RHEUMATOID ARTHRITIS, MIGRAINE, COGNITIVE DEFICIENCY, SPASTICITY, DIARRHEA, NASAL CONGESTION SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-25 US disclosed
EP-0975602-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-02-02 EP disclosed
US-5866579-A SELECTIVE AGONISTS FOR CLONED HUMAN ALPHA-2 ADRENERGIC RECEPTORS. SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-02-02 US disclosed
WO-1998046572-A1 IMIDAZOLE AND IMIDAZOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-10-22 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 (6 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-12441727-B2 Tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS GPR3 3927/4885KDM4E 4227/4885CYP2A6 3542/4885
US-20230056631-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS GPR3 3769/4885KDM4E 4221/4885CYP2A6 3464/4885
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 GPR3 40/4885KDM4E 3834/4885CYP2A6 1239/4885
US-20240182444-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 GPR3 4805/4885KDM4E 3205/4885CYP2A6 1619/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GPR3 1887/4885KDM4E 3689/4885CYP2A6 3834/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GPR3 1887/4885KDM4E 3689/4885CYP2A6 3834/4885

“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.