SCHEMBL19736573

SCHEMBL19736573

COc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(OC)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 11/20 0.65
▸ MEN1 O00255 10/20 0.65
▸ LMNA P02545 7/20 0.65
▸ GAA P10253 7/20 0.65
▸ MAPT P10636 13/20 0.58
▸ PAX8 Q06710 1/20 0.58
▸ ALOX12 P18054 2/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ NFKB2 Q00653 1/20 0.50
▸ RELA Q04206 1/20 0.50
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 3/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPK1 P28482 2/20 0.43

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
SCHEMBL20609180 1.00 KMT2A (0.65) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609182 1.00 KMT2A (0.65) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609230 0.88 GAA (0.77) KMT2AMEN1LMNAGAAMAPT
SCHEMBL19736309 0.88 GAA (0.77) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609231 0.88 GAA (0.77) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609226 0.86 MEN1 (0.77) KMT2AMEN1LMNAGAAMAPT
SCHEMBL19736515 0.86 MEN1 (0.77) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609224 0.86 MEN1 (0.77) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609238 0.84 KMT2A (0.62) KMT2AMEN1LMNAGAAMAPT
SCHEMBL20609239 0.84 KMT2A (0.62) KMT2AMEN1LMNAGAAMAPT

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
EP-3472133-B1 PERK INHIBITORS AND USES THEREOF IN TREATING DISEASES ASSOCIATED WITH AGGREGATION-PRONE PROTEINS UNIV RAMOT (IL) 2023-10-11 — — EP disclosed
US-20200331865-A1 PERK INHIBITORS AND USES THEREOF IN TREATING DISEASES ASSOCIATED WITH AGGREGATION-PRONE PROTEINS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-10-22 — — US disclosed
US-10723706-B2 Perk inhibitors and uses thereof in treating diseases associated with aggregation-prone proteins RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-07-28 — — US disclosed
WO-2017216792-A1 PERK INHIBITORS AND USES THEREOF IN TREATING DISEASES ASSOCIATED WITH AGGREGATION-PRONE PROTEINS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-12-21 — — WO 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 (2 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-20200331865-A1 PERK INHIBITORS AND USES THEREOF IN TREATING DISEASES ASSOCIATED WITH AGGREGATION-PRONE PROTEINS XBP1, HSPA5, HSPA4 KMT2A 4012/4885MEN1 4546/4885LMNA 2540/4885
US-10723706-B2 Perk inhibitors and uses thereof in treating diseases associated with aggregation-prone proteins XBP1, HSPA5, HSPA4 KMT2A 4012/4885MEN1 4546/4885LMNA 2540/4885

“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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