SCHEMBL17508399

SCHEMBL17508399

CC(C)CCc1c(-c2cccc(Cl)c2)ncc2c1c(=O)n(CCCOC=O)c(=O)n2C

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 14/20 0.78
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
CYP2C9 P11712 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
SCHEMBL17508800 0.90 TRPC5 (0.76) TRPC5CYP1A2HSD17B10ALDH1A1CYP3A4
SCHEMBL17508411 0.88 TRPC5 (1.00) TRPC5
SCHEMBL17508805 0.82 TRPC5 (0.77) TRPC5
SCHEMBL17508801 0.77 TRPC5 (0.76) TRPC5KMT2AMEN1TSHR
SCHEMBL17508807 0.77 TRPC5 (1.00) TRPC5
SCHEMBL17508803 0.74 TRPC5 (0.79) TRPC5KMT2AMEN1TSHR
SCHEMBL17508799 0.73 TRPC5 (0.80) TRPC5GRIN1GRIN2B
SCHEMBL17546479 0.73 TRPC5 (0.44) TRPC5
SCHEMBL17508802 0.73 TRPC5 (0.78) TRPC5KMT2AMEN1TSHR
SCHEMBL17508393 0.73 TRPC5 (0.43) TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180337-B1 PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES INC (US) 2018-10-10 EP disclosed
EP-3180337-A1 PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES Hydra Biosciences, Inc. (US) 2017-06-21 EP disclosed
US-9440973-B2 Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2016-09-13 US disclosed
US-9440973-B2 Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2016-09-13 US disclosed
US-9440973-B2 Pyrido[3,4-d]pyrimidine-2,4(1H,3H)-dione derivatives HYDRA BIOSCIENCES, INC. (US) 2016-09-13 US disclosed
WO-2016023825-A1 PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed
WO-2016023825-A1 PYRIDO[3,4-D]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. (US) 2016-02-18 WO disclosed
US-20160039815-A1 PYRIDO[3,4-d]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20160039815-A1 PYRIDO[3,4-d]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20160039815-A1 PYRIDO[3,4-d]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES HYDRA BIOSCIENCES, INC. 2016-02-11 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 (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-20160039815-A1 PYRIDO[3,4-d]PYRIMIDINE-2,4(1H,3H)-DIONE DERIVATIVES TRPC5, P2RX5, HTR5A TRPC5 1/4885CYP1A2 1054/4885HSD17B10 3528/4885

“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.