SCHEMBL19638095

SCHEMBL19638095

COC(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(Br)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.54
ADORA3 P0DMS8 5/20 0.53
ADORA1 P30542 5/20 0.53
SCD O00767 1/20 0.53
HTT P42858 2/20 0.49
ADORA2A P29274 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
TRPV4 Q9HBA0 1/20 0.48
HPGD P15428 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL19638141 0.88 ADORA3 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19638006 0.86 KMT2A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19638248 0.86 RAB9A (0.54) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19637967 0.81 KMT2A (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2752602 0.76 NPC1 (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19638110 0.76 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19638046 0.74 ADORA3 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL19638029 0.74 ADORA3 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL1256685 0.73 ALOX5 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL2753581 0.73 ADORA2A (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207445-B Adenosine A3Modulators of receptors 帕罗生物制药有限公司 2021-03-16 CN 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 (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-20180263963-A1 MODULATORS OF THE ADENOSINE A3 RECEPTORS ADORA3, ADORA2A, ADORA1 RAB9A 2858/4885NPC1 1029/4885ALDH1A1 483/4885
US-10238637-B2 Modulators of the adenosine A3 receptors ADORA3, ADORA2A, ADORA1 RAB9A 2858/4885NPC1 1029/4885ALDH1A1 483/4885

“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.