SCHEMBL18010971

SCHEMBL18010971

CC(NC(=O)O)c1nnco1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.44
MAPK1 P28482 1/20 0.40
GPR88 Q9GZN0 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 2/20 0.33
TP53 P04637 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
LRRK2 Q5S007 1/20 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
SCHEMBL23752467 0.84 CTSK (0.42) CTSKMAPK1GPR88HPGDNOTUM
SCHEMBL23752576 0.84 CTSK (0.42) CTSKMAPK1GPR88HPGDNOTUM
SCHEMBL23752466 0.84 CTSK (0.42) CTSKMAPK1GPR88HPGDNOTUM
SCHEMBL18027918 0.77 CTSK (0.42) CTSKMAPK1GPR88ATMALDH1A1
SCHEMBL17298868 0.76 HDAC1 (0.51) CTSKMAPK1HPGDTDP1POLB
SCHEMBL17351833 0.74 CTSK (0.36) CTSKMAPK1GPR88
SCHEMBL23092245 0.73 FFAR1 (0.36) CTSKGPR88ALDH1A1HPGDPOLB
SCHEMBL15998483 0.72 CTSK (0.40) CTSKGPR88NOTUM
SCHEMBL17337920 0.71 SLC7A5 (0.38) CTSKGPR88NOTUM
SCHEMBL17337921 0.71 SLC7A5 (0.38) CTSKGPR88NOTUM

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-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 US disclosed
EP-3150599-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-10-24 EP disclosed
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9889136-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-02-13 US disclosed
US-9662333-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-05-30 US disclosed
EP-3150599-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2017-04-05 EP disclosed
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-10-27 US disclosed
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-25 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 (4 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-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR CTSK 4458/4885MAPK1 395/4885GPR88 1645/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD CTSK 4429/4885MAPK1 667/4885GPR88 2472/4885
US-20160310496-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR CTSK 4458/4885MAPK1 395/4885GPR88 1645/4885
US-20160244444-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, NR5A2 CTSK 4780/4885MAPK1 753/4885GPR88 146/4885

“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.