SCHEMBL4354272

SCHEMBL4354272

O=C(NCCc1ccncc1)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.88
HDAC2 Q92769 2/20 0.74
HDAC8 Q9BY41 2/20 0.74
HDAC6 Q9UBN7 2/20 0.74
NPC1 O15118 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
NAMPT P43490 1/20 0.67
ALDH1A1 P00352 1/20 0.64
ESRRG P62508 1/20 0.63
HIF1A Q16665 3/20 0.60
KDM4E B2RXH2 1/20 0.59
KDM5A P29375 1/20 0.59
KDM5C P41229 1/20 0.59
KDM5B Q9UGL1 1/20 0.59

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
SCHEMBL1568235 0.93 RAB9A (1.00) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL17673049 0.92 RAB9A (0.97) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL28919396 0.91 RAB9A (0.78) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL2357555 0.90 RAB9A (0.79) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL3818841 0.88 RAB9A (0.83) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL751214 0.88 HDAC2 (0.80) RAB9AHDAC2HDAC8HDAC6NPC1
Hydrochloric Acid SCHEMBL28193721 0.86 HDAC2 (0.77) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL13211715 0.84 RAB9A (1.00) RAB9AHDAC2HDAC8HDAC6NPC1
SCHEMBL1568233 0.84 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14547371 0.84 HDAC2 (0.75) RAB9AHDAC2HDAC8HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-12534474-B2 Dihydrofuropyridine derivatives as rho-kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2026-01-27 US disclosed
US-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2025-02-06 US disclosed
US-20250042920-A1 IMIDAZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF OCEAN UNIVERSITY OF CHINA (CN) 2025-02-06 US disclosed
EP-4442692-A1 IMIDAZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Ocean University of China (CN) 2024-10-09 EP disclosed
US-20240092792-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-21 US disclosed
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
WO-2006008192-A1 N-[2-(4-PYRIDINYL)ETHYL]BENZAMIDE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2006-01-26 WO 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
EP-1202726-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP 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
US-6251943-B1 2-(2-AMINO-3-METHOXYPHENYL)4-OXO-4H-(1)BENZOPYRAN A MEK INHIBITOR FOR THE TREATMENT OR PREVENTION OF SEPTIC SHOCK WARNER-LAMBERT COMPANY 2001-06-26 US disclosed
WO-2001005392-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO 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 (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-20250043353-A1 BIOMARKERS OF RESPONSE TO SELECTIVE INHIBITORS OF AURORA A KINASE WNT1, XPOT, CTNNBL1 RAB9A 3071/4885HDAC2 3888/4885HDAC8 3082/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO RAB9A 3126/4885HDAC2 2469/4885HDAC8 950/4885
US-20240092792-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA RAB9A 391/4885HDAC2 1227/4885HDAC8 2096/4885
US-12534474-B2 Dihydrofuropyridine derivatives as rho-kinase inhibitors ROCK1, RHOC, ROCK2 RAB9A 787/4885HDAC2 1860/4885HDAC8 2443/4885
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA RAB9A 391/4885HDAC2 1227/4885HDAC8 2096/4885
US-20250042920-A1 IMIDAZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF WEE2, WEE1, GCK RAB9A 3797/4885HDAC2 803/4885HDAC8 510/4885

“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.