SCHEMBL19780063

SCHEMBL19780063

CCOC(=O)c1cn(Cc2ccc3ncc(C)cc3c2)nc1C#N

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.49
NMT1 P30419 2/20 0.39
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE5A O76074 1/20 0.37
NMT2 O60551 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL19780323 0.91 KLKB1 (0.59) KLKB1SMN1; SMN2PDE5A
SCHEMBL19779860 0.88 KLKB1 (0.46) KLKB1GRM2KDM4EALDH1A1MAPT
SCHEMBL19779882 0.88 KLKB1 (0.52) KLKB1
SCHEMBL19779845 0.87 KLKB1 (0.46) KLKB1NMT1GRM2PDE5A
SCHEMBL20531563 0.87 KLKB1 (0.51) KLKB1
SCHEMBL19780671 0.84 KLKB1 (0.52) KLKB1KDM4EHPGDALDH1A1MAPT
SCHEMBL19780130 0.82 KLKB1 (0.47) KLKB1GRM2KDM4EHPGDALDH1A1
SCHEMBL19780387 0.81 KLKB1 (0.41) KLKB1KDM4EHPGDALDH1A1MAPT
SCHEMBL21027804 0.80 KLKB1 (0.40) KLKB1
SCHEMBL21028192 0.80 KLKB1 (0.42) KLKB1KDM4EHPGDALDH1A1MAPT

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
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 US disclosed
US-20180297984-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-10-18 US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 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 (5 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-20180297984-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885NMT1 866/4885GRM2 4817/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885NMT1 866/4885GRM2 4817/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885NMT1 866/4885GRM2 4817/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885NMT1 866/4885GRM2 4817/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 KLKB1 1/4885NMT1 866/4885GRM2 4817/4885

“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.