SCHEMBL20755156

SCHEMBL20755156

Fc1cnccc1N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.54
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CHKA P35790 1/20 0.45
ROCK2 O75116 3/20 0.43
ROCK1 Q13464 3/20 0.43
CDC42BPB Q9Y5S2 3/20 0.43
PIM1 P11309 3/20 0.43
CDC42BPA Q5VT25 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41

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
SCHEMBL28179036 0.98 LATS1 (0.51) LATS1CA12CA1CA2CA9
SCHEMBL20521379 0.81 ADRB2 (0.52) LATS1CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL29586065 0.80 ADRB2 (0.50) LATS1CA12CA1CA2CA9
SCHEMBL20755270 0.79 GAA (0.46) CA12CA1CA2CA9ROCK2
SCHEMBL10642814 0.77 MAPT (0.48) LATS1CA12CA1CA2CA9
SCHEMBL1710364 0.77 MAPT (0.58) CHKAROCK2ROCK1CDC42BPBPIM1
SCHEMBL11907247 0.77 MAPT (0.58) CHKAROCK2ROCK1CDC42BPBPIM1
SCHEMBL11907530 0.77 MAPT (0.58) CHKAROCK2ROCK1CDC42BPBPIM1
SCHEMBL24008739 0.77 NOTUM (0.47) LATS1CHKAROCK2ROCK1CDC42BPB
SCHEMBL28179046 0.76 CHKA (0.48) CA12CA1CA2CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers iTeos Belgium SA (BE) 2023-05-25 US disclosed
CN-107501274-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
CN-107501275-B It can be used as the compound of ATR kinase inhibitor Votex Pharmaceutical Co., Ltd. (US) 2019-11-22 CN disclosed
WO-2019036384-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 WO disclosed
CN-107629059-A It can be used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2018-01-26 CN disclosed
CN-107501274-A It can be used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-107501275-A It can be used as the compound of ATR kinase inhibitors 沃泰克斯药物股份有限公司 2017-12-22 CN disclosed
CN-104903325-B Compounds useful as inhibitors of ATR kinase 沃泰克斯药物股份有限公司 2017-10-20 CN 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-20230159564-A1 2-Oxo-Thiazole Derivatives as A2A Inhibitors and Compounds for Use in the Treatment of Cancers ADORA2A, ADORA2B, ADORA3 LATS1 2229/4885CA12 2304/4885CA1 1601/4885

“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.