SCHEMBL19169966

SCHEMBL19169966

Cc1nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)nc2sc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPY5R Q15761 2/20 0.35
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ RXRA P19793 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 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
SCHEMBL19169968 0.94 KDM4E (0.39) PTGER4KDM4EATML3MBTL1KMT2A
SCHEMBL18553254 0.87 KDM4E (0.39) PTGER4KDM4EATML3MBTL1NPC1
SCHEMBL16905846 0.87 ATM (0.39) PTGER4KDM4EATML3MBTL1KMT2A
SCHEMBL19161633 0.86 ATM (0.37) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL17252983 0.85 ATM (0.38) PTGER4KDM4EATML3MBTL1KMT2A
SCHEMBL16905738 0.85 ATM (0.39) PTGER4KDM4EATML3MBTL1KMT2A
SCHEMBL19106420 0.84 ATM (0.37) PTGER4KDM4EATML3MBTL1KMT2A
SCHEMBL16905630 0.84 KDM4E (0.37) PTGER4KDM4EATML3MBTL1NPY5R
SCHEMBL16905749 0.84 ATM (0.38) PTGER4KDM4EATML3MBTL1KMT2A
SCHEMBL16905848 0.83 KDM4E (0.36) PTGER4KDM4EATML3MBTL1NPY5R

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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 PTGER4 1202/4885KDM4E 2743/4885ATM 2136/4885

“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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