SCHEMBL19780165

SCHEMBL19780165

O=C(O)c1c(C(F)(F)F)nnn1Cc1ccc2ncc(Cl)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 2/20 0.45
KLKB1 P03952 10/20 0.44
PTGER4 P35408 3/20 0.43
MET P08581 2/20 0.39
CDK9 P50750 1/20 0.39
MAP4K1 Q92918 3/20 0.38
FAAH O00519 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL19780519 0.86 KLKB1 (0.44) CCR9KLKB1PTGER4METMAP4K1
SCHEMBL19780520 0.83 CCR9 (0.45) CCR9KLKB1METCDK9MAP4K1
SCHEMBL27830493 0.80 GAA (0.48) PTGER4FAAHAKR1C3AKR1C2
SCHEMBL19780517 0.80 CCR9 (0.46) CCR9KLKB1MAP4K1FAAH
SCHEMBL19779941 0.78 KLKB1 (0.72) KLKB1MAP4K1
SCHEMBL939419 0.78 HPGD (0.51) PTGER4AKR1C3AKR1C2
SCHEMBL19779588 0.77 CCR9 (0.51) CCR9KLKB1MAP4K1
SCHEMBL20531542 0.77 KLKB1 (0.62) CCR9KLKB1MAP4K1FAAH
SCHEMBL27830557 0.77 PTGER4 (0.53) PTGER4AKR1C3
SCHEMBL19780608 0.77 KLKB1 (0.47) CCR9KLKB1

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 CCR9 836/4885KLKB1 1/4885PTGER4 688/4885
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CCR9 836/4885KLKB1 1/4885PTGER4 688/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CCR9 836/4885KLKB1 1/4885PTGER4 688/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CCR9 836/4885KLKB1 1/4885PTGER4 688/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CCR9 836/4885KLKB1 1/4885PTGER4 688/4885

“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.