SCHEMBL4502913

SCHEMBL4502913

O=C(NCCN1CCCCC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
ALDH1A1 P00352 3/20 0.68
NPSR1 Q6W5P4 1/20 0.68
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 2/20 0.64
APP P05067 1/20 0.62
HPGD P15428 2/20 0.62
CD274 Q9NZQ7 1/20 0.62
KDM4E B2RXH2 1/20 0.62
GLA P06280 1/20 0.60
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL27770345 0.98 ALDH1A1 (0.71) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL1381550 0.98 ALDH1A1 (0.70) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL10722398 0.92 HPGD (0.67) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL8150803 0.91 HPGD (0.76) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL5474202 0.91 ALDH1A1 (0.71) CYP1A2CYP2D6CYP2C9ALDH1A1MEN1
SCHEMBL2555571 0.89 CCR3 (0.67) CYP1A2CYP2D6CYP2C9ALDH1A1KDM4E
SCHEMBL1384427 0.89 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AHPGDKDM4E
SCHEMBL3642214 0.87 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL11341680 0.86 HDAC2 (0.76) ALDH1A1NPSR1POLBHPGDCD274
SCHEMBL4488723 0.86 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
JP-2002532414-A 2002-10-02 JP claimed
EP-1140046-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2001-10-10 EP claimed
WO-2000035435-A9 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER LAMBERT CO (US) 2001-03-22 WO claimed
WO-2000035435-A1 USE OF A MEK INHIBITOR FOR PREVENTING TRANSPLANT REJECTION WARNER-LAMBERT COMPANY (US) 2000-06-22 WO claimed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 WO claimed
WO-2024246764-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-12-05 WO disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 WO disclosed
US-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed
CN-109476633-A The inhibitor of tryptophan 2,3- dioxygenase 荷兰转化研究中心有限责任公司 2019-03-15 CN disclosed
WO-2011145035-A1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INDIAN INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-11-24 WO disclosed
US-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 US disclosed
US-6492363-B2 FOR THERAPY OF CANCER AND OTHER PROLIFERATIVE DISEASES SUCH AS INFLAMMATION, PSORIASIS AND RESTENOSIS, AS WELL AS STROKE, HEART FAILURE, AND IMMUNODEFICIENCY DISORDERS WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-6310060-B1 FOR USE AS ANTIPROLIFERATIVE AGENT FOR USE AGAINST CANCER, PSORIASIS, RESTENOSIS, AUTOIMMUNE DISEASE, OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY 2001-10-30 US disclosed
WO-1998037881-A1 METHOD OF TREATING OR PREVENTING SEPTIC SHOCK BY ADMINISTERING A MEK INHIBITOR WARNER LAMBERT COMPANY (US) 1998-09-03 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 (1 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-20240092790-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA CYP1A2 733/4885CYP2D6 1865/4885CYP2C9 2105/4885

“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.