SCHEMBL19699772

SCHEMBL19699772

O=C(O)c1cccnc1N1CC2(COC2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ MYC P01106 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ AGER Q15109 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ RBP4 P02753 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ NAPRT Q6XQN6 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TTR P02766 1/20 0.39
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL19698613 0.87 KMT2A (0.43) KMT2AMYCKDM4ECYP3A4TSHR
SCHEMBL20598365 0.86 KMT2A (0.51) KMT2AMYCKDM4ETDP1CYP3A4
SCHEMBL16094634 0.84 OPRK1 (0.50) KDM4ETDP1CYP3A4ALDH1A1MAPT
SCHEMBL30240350 0.78 KMT2A (0.54) KMT2AMYCKDM4ECYP3A4TSHR
SCHEMBL29574622 0.78 KMT2A (0.65) KMT2AMYCKDM4ETDP1CYP3A4
SCHEMBL353809 0.78 KMT2A (0.65) KMT2AMYCKDM4ETDP1CYP3A4
SCHEMBL23344678 0.75 CNR2 (0.39) KDM4EALDH1A1PDE10AGRIA1
SCHEMBL15294735 0.75 KMT2A (0.70) KMT2AMYCKDM4ETDP1CYP3A4
SCHEMBL30477850 0.75 KMT2A (0.70) KMT2AMYCKDM4ETDP1CYP3A4
SCHEMBL3309889 0.75 KMT2A (0.70) KMT2AMYCKDM4ETDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 2017-12-14 — — 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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES ZC3HAV1, DHX15, AZI2 KMT2A 1820/4885MYC 3412/4885KDM4E 383/4885

“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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