SCHEMBL25461998

SCHEMBL25461998

c1cnc2nc(-c3cc4sc5ccccc5c4cn3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.37
MIF P14174 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
GABRA1 P14867 2/20 0.35
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
NPC1 O15118 1/20 0.33
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL25461970 0.90 LMNA (0.38) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25462073 0.86 CCR1 (0.41) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25461712 0.82 RAB9A (0.43) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL25462002 0.82 TGFBR1 (0.41) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25462013 0.81 NPC1 (0.40) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25462016 0.81 NPC1 (0.54) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25462081 0.81 GPR3 (0.39) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25462054 0.80 MIF (0.38) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25461927 0.80 MIF (0.38) GPR3MIFALDH1A1MAPTHPGD
SCHEMBL25461711 0.79 GPR3 (0.45) GPR3MIFALDH1A1MAPTHPGD

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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 GPR3 4426/4885MIF 1532/4885ALDH1A1 686/4885

“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.