SCHEMBL682571

SCHEMBL682571

CC(C)(C)c1cccc2c1CCO2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
MTNR1B P49286 9/20 0.37
KIF11 P52732 1/20 0.36
SLC9A1 P19634 5/20 0.36
SLC9A5 Q14940 1/20 0.36
SLC9A2 Q9UBY0 1/20 0.36
MTNR1A P48039 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL14583558 0.89 CA2 (0.36) CA2ITGB2ICAM1ITGALMTNR1B
SCHEMBL12808598 0.82 MTNR1B (0.39) MTNR1BSLC9A1SLC9A5SLC9A2MTNR1A
SCHEMBL20858620 0.81 ITGB2 (0.38) ITGB2ICAM1ITGALMTNR1BSLC9A1
SCHEMBL21937989 0.80 SMN1; SMN2 (0.44) CA2ITGB2ICAM1ITGALMTNR1A
SCHEMBL19678834 0.78 SSTR4 (0.36) CA2ITGB2ICAM1ITGAL
SCHEMBL15084394 0.76 HTR2C (0.37) MTNR1BKIF11MTNR1A
SCHEMBL13542534 0.76 HTR2C (0.34) MTNR1BKIF11MTNR1A
SCHEMBL761139 0.74 ITGB2 (0.44) CA2ITGB2ICAM1ITGALMTNR1A
SCHEMBL8081108 0.74 MAP3K14 (0.47) ITGB2ICAM1ITGALMTNR1BKIF11
SCHEMBL30485719 0.74 MAP3K14 (0.47) ITGB2ICAM1ITGALMTNR1BKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
WO-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed
WO-2023154519-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF BIOPOLAR HONGYE (NANTONG) PHARMACEUTICAL CO. LTD. (CN) 2023-06-29 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20220389021-A1 INHIBITORS OF KRAS G12C BEONE MEDICINES I GMBH (CH) 2022-12-08 US disclosed
US-8338405-B2 Therapeutic piperazines DART NEUROSCIENCE LLC (US) 2012-12-25 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065689-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US disclosed
US-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20080096884-A1 4-Aminoquinoline-3-Carboxamide Derivatives as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20080096884-A1 4-Aminoquinoline-3-Carboxamide Derivatives as Pde4 Inhibitors GLAXO GROUP LIMITED (GB) 2008-04-24 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 US 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 (11 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF CA2 4227/4885ITGB2 2986/4885ICAM1 4647/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 CA2 1141/4885ITGB2 4400/4885ICAM1 3890/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 CA2 2055/4885ITGB2 4569/4885ICAM1 4885/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 CA2 1141/4885ITGB2 4400/4885ICAM1 3890/4885
US-20080096884-A1 4-Aminoquinoline-3-Carboxamide Derivatives as Pde4 Inhibitors PDE4A, PDE4B, PDE3B CA2 356/4885ITGB2 3528/4885ICAM1 3792/4885
US-20230065368-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X USP9X, USP19, USP39 CA2 4405/4885ITGB2 4805/4885ICAM1 3473/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 CA2 1141/4885ITGB2 4400/4885ICAM1 3890/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS CA2 324/4885ITGB2 4657/4885ICAM1 4842/4885
US-20230203059-A1 MACROCYCLIC JAK INHIBITOR AND USES THEREOF JAK3, JAK2, JAK1 CA2 4077/4885ITGB2 4168/4885ICAM1 3771/4885
US-20220389021-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CA2 2967/4885ITGB2 4635/4885ICAM1 4738/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D CA2 1564/4885ITGB2 3967/4885ICAM1 2826/4885

“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.