SCHEMBL21169219

SCHEMBL21169219

O=C(c1ccc2c(n1)CCO2)N1CCCc2c(O)nc(-c3ccccn3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.41
MAPK1 P28482 3/20 0.37
METAP1 P53582 2/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CFTR P13569 4/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PPP1CA P62136 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
PDE10A Q9Y233 1/20 0.32
ADORA2A P29274 2/20 0.32

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
SCHEMBL18997596 0.85 KRAS (0.46) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18997610 0.84 KRAS (0.46) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18997599 0.83 KRAS (0.43) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18997609 0.83 KRAS (0.44) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18997607 0.82 KRAS (0.50) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18998156 0.80 KRAS (0.45) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18997604 0.77 KRAS (0.41) KRASMAPK1METAP1ALOX15RAB9A
SCHEMBL18997601 0.76 KRAS (0.54) KRASMAPK1METAP1RAB9AL3MBTL1
SCHEMBL18998165 0.74 KRAS (0.70) KRASMAPK1KMT2ALMNATSHR
SCHEMBL19049556 0.74 KRAS (0.46) KRASMAPK1METAP1RAB9AL3MBTL1

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-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 KRAS 516/4885MAPK1 1/4885METAP1 2678/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KRAS 608/4885MAPK1 4/4885METAP1 2817/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KRAS 608/4885MAPK1 4/4885METAP1 2817/4885

“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.