SCHEMBL27059115

SCHEMBL27059115

CNc1nc2ccc(Br)c(O)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SHMT2 P34897 1/20 0.37
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
NPC1 O15118 4/20 0.35
DYRK1A Q13627 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
APP P05067 1/20 0.35
ALOX5 P09917 1/20 0.34
TBXAS1 P24557 1/20 0.34
LTB4R Q15722 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
GPR183 P32249 1/20 0.32

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
SCHEMBL29682150 0.81 DYRK1A (0.57) RAB9ASMN1; SMN2NPC1DYRK1ACYP1A2
SCHEMBL25336208 0.81 DYRK1A (0.57) RAB9ASMN1; SMN2NPC1DYRK1ACYP1A2
SCHEMBL23921280 0.79 LDHA (0.37) LDHASHMT2RAB9ASMN1; SMN2NPC1
SCHEMBL29006879 0.79 CCNA2 (0.36) RAB9ASMN1; SMN2NPC1MAPTCCNA2
SCHEMBL6067813 0.75 RAB9A (0.56) RAB9ASMN1; SMN2NPC1ALDH1A1HTT
SCHEMBL658937 0.75 APP (0.40) LDHASHMT2RAB9ASMN1; SMN2NPC1
SCHEMBL25338656 0.75 GAA (0.44) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL29682160 0.75 GAA (0.44) RAB9ASMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL25338411 0.74 NPC1 (0.56) RAB9ASMN1; SMN2NPC1DYRK1AALDH1A1
SCHEMBL29682179 0.74 NPC1 (0.56) RAB9ASMN1; SMN2NPC1DYRK1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US 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 (1 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-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 LDHA 3420/4885SHMT2 1926/4885RAB9A 4106/4885

“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.