SCHEMBL19638979

SCHEMBL19638979

CCCCCc1nc(-c2ccccn2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.49
▸ NPY5R Q15761 3/20 0.45
▸ MAPT P10636 4/20 0.44
▸ NFKB1 P19838 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ PPP1CA P62136 2/20 0.44
▸ KCNN1 Q92952 2/20 0.44
▸ KCNN2 Q9H2S1 2/20 0.44
▸ KCNN3 Q9UGI6 2/20 0.44
▸ NR1I2 O75469 1/20 0.44
▸ MECP2 P51608 1/20 0.44
▸ MBD2 Q9UBB5 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 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
SCHEMBL1743332 0.95 CYP19A1 (0.50) CYP19A1NPY5RMAPTNFKB1NFKB2
SCHEMBL27913336 0.80 LOXL2 (0.64) MAPTKMT2ASMN1; SMN2MEN1NPC1
Dipyridyl SCHEMBL28135789 0.77 KDM4E (0.64) CYP19A1SMN1; SMN2CYP1A2CYP2D6CYP2C9
SCHEMBL203773 0.76 CYP19A1 (0.60) CYP19A1MAPTNFKB1NFKB2KMT2A
SCHEMBL12433044 0.76 CYP19A1 (0.51) CYP19A1NPY5RMAPTNFKB1NFKB2
SCHEMBL1205231 0.75 PDE10A (0.55) CYP19A1MAPTSMN1; SMN2CYP1A2CYP2D6
SCHEMBL12351811 0.75 LOXL2 (0.66) MAPTKMT2ASMN1; SMN2MEN1NPC1
SCHEMBL206699 0.75 MAPT (0.63) NPY5RMAPTNFKB1NFKB2KMT2A
SCHEMBL206259 0.75 MAPT (0.63) NPY5RMAPTNFKB1NFKB2KMT2A
SCHEMBL7221537 0.75 ECE1 (0.43) TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3581572-B1 ADENOSINE A3 RECEPTOR MODULATORS PALOBIOFARMA SL (ES) 2020-11-25 — — EP disclosed
US-10744125-B2 Adenosine A3 receptor modulators PALOBIOFARMA, S.L. (ES) 2020-08-18 — — US disclosed
EP-3248964-B1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA SL (ES) 2019-07-17 — — EP disclosed
US-10238637-B2 Modulators of the adenosine A3 receptors PALOBIOFARMA, S.L. (ES) 2019-03-26 — — US disclosed
US-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-09-20 — — US disclosed
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 — — EP 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 (3 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-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS ADORA3, ADORA2A, ADORA1 CYP19A1 1389/4885NPY5R 1351/4885MAPT 3832/4885
US-10744125-B2 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 CYP19A1 789/4885NPY5R 1173/4885MAPT 4548/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 CYP19A1 1389/4885NPY5R 1351/4885MAPT 3832/4885

“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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