SCHEMBL15801427

SCHEMBL15801427

Cc1csc2c(=O)n(CCF)c(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.46
▸ PDE7A Q13946 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADORA2B P29275 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ PDPK1 O15530 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ QPCT Q16769 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33
▸ EIF4EBP1 Q13541 2/20 0.32
▸ GRM1 Q13255 1/20 0.32
▸ TNKS O95271 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
SCHEMBL15519718 0.88 EGFR (0.38) PDE4BPDE7ASMN1; SMN2ADORA2BMEN1
SCHEMBL15801426 0.73 PDPK1 (0.42) PDE4BPDE7ASMN1; SMN2ADORA2BPDPK1
SCHEMBL13833649 0.73 PDE7A (0.50) PDE4BPDE7ASMN1; SMN2
SCHEMBL13833572 0.72 CASR (0.48) PDE4BPDE7AMEN1KMT2ATSHR
SCHEMBL15519381 0.67 MEN1 (0.45) PDE7ASMN1; SMN2MEN1KMT2ATSHR
SCHEMBL13833812 0.65 PDPK1 (0.49) PDE4BPDE7ASMN1; SMN2PDPK1QPCT
SCHEMBL3519866 0.64 MEN1 (0.37) ADORA2BMEN1KMT2ATSHRKDM4E
SCHEMBL11051146 0.64 SMN1; SMN2 (0.45) PDE4BPDE7ASMN1; SMN2KMT2ANPC1
SCHEMBL11038060 0.61 SMN1; SMN2 (0.51) PDE4BPDE7ASMN1; SMN2DPP4PDPK1
SCHEMBL18097255 0.60 ADORA2B (0.59) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 — — US disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 — — US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 — — US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 — — 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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 PDE4B 952/4885PDE7A 531/4885SMN1; SMN2 3656/4885

“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.

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