SCHEMBL18997601

SCHEMBL18997601

Cc1cccc(C(=O)N2CCCc3c(O)nc(-c4ccccn4)nc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.54
F2 P00734 2/20 0.49
F12 P00748 2/20 0.49
HPGD P15428 2/20 0.46
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 2/20 0.39
METAP1 P53582 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ELANE P08246 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL18997607 0.88 KRAS (0.50) KRASF2F12LMNAL3MBTL1
SCHEMBL18998165 0.87 KRAS (0.70) KRASLMNAKMT2ATSHRMAPK1
SCHEMBL18997610 0.84 KRAS (0.46) KRASLMNAL3MBTL1KMT2AMETAP1
SCHEMBL18997602 0.83 KRAS (0.47) KRASF2F12PLGPLAU
SCHEMBL18997596 0.81 KRAS (0.46) KRASHPGDLMNAL3MBTL1KMT2A
SCHEMBL18998164 0.81 KRAS (0.49) KRASHPGDL3MBTL1TSHRRAB9A
SCHEMBL19049556 0.81 KRAS (0.46) KRASHPGDLMNAL3MBTL1KMT2A
SCHEMBL18997609 0.81 KRAS (0.44) KRASLMNAL3MBTL1KMT2AMETAP1
SCHEMBL18997599 0.79 KRAS (0.43) KRASF2F12PLAULMNA
SCHEMBL18997598 0.79 ALDH1A1 (0.40) KRASLMNAL3MBTL1KMT2AMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (3 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-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 KRAS 608/4885F2 4478/4885F12 4249/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS KRAS 2/4885F2 3337/4885F12 4048/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 KRAS 608/4885F2 4478/4885F12 4249/4885

“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.