SCHEMBL6209856

SCHEMBL6209856

CC(=O)c1cc(-c2ccccc2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.76
PDE10A Q9Y233 2/20 0.76
LMNA P02545 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
DHODH Q02127 3/20 0.71
CYP3A4 P08684 3/20 0.68
KMT2A Q03164 2/20 0.68
MEN1 O00255 1/20 0.68
TSHR P16473 1/20 0.65
POLB P06746 1/20 0.63
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
TACR3 P29371 4/20 0.61
PTGER4 P35408 1/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60

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
SCHEMBL17348467 0.91 KDM4E (0.62) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL13312211 0.91 POLB (0.78) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL13312206 0.91 DHODH (0.74) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL14907419 0.90 MAPT (0.65) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL13312263 0.88 CYP2C9 (0.73) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL25775237 0.87 KMT2A (0.65) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL1898779 0.87 KDM4E (0.76) KDM4EPDE10ALMNASMN1; SMN2DHODH
SCHEMBL13199980 0.86 SMN1; SMN2 (0.64) KDM4EPDE10ALMNASMN1; SMN2DHODH
Cinchophen SCHEMBL25519 0.86 KDM4E (1.00) KDM4EPDE10ALMNASMN1; SMN2DHODH
Cinchophen SCHEMBL7588217 0.86 KDM4E (1.00) KDM4EPDE10ALMNASMN1; SMN2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
US-10179770-B2 Quinolines derivatives as novel anticancer agents GENOSCIENCE PHARMA (FR) 2019-01-15 US disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
EP-2976333-B1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA SAS (FR) 2018-08-08 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS GENOSCIENCE PHARMA (FR) 2016-09-29 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-10179770-B2 Quinolines derivatives as novel anticancer agents NQO2, MKI67, NQO1 KDM4E 979/4885PDE10A 3779/4885LMNA 2412/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KDM4E 4215/4885PDE10A 2766/4885LMNA 3109/4885
US-20160280653-A1 QUINOLINES DERIVATIVES AS NOVEL ANTICANCER AGENTS NQO2, MKI67, NQO1 KDM4E 979/4885PDE10A 3779/4885LMNA 2412/4885
US-20020019390-A1 Imidazole and imidazoline derivatives and uses thereof ADRB2, ADRA2C, ADRB3 KDM4E 3834/4885PDE10A 415/4885LMNA 3996/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KDM4E 4215/4885PDE10A 2766/4885LMNA 3109/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885PDE10A 1360/4885LMNA 3509/4885

“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.