SCHEMBL20042382

SCHEMBL20042382

c1ccc2c(c1)sc1ccc(-c3ccc4ccc5ccc(-c6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6)nc5c4n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LIMK1 P53667 3/20 0.36
PIM3 Q86V86 2/20 0.35
ROCK1 Q13464 1/20 0.34
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
PTGIR P43119 1/20 0.32
CYP1A2 P05177 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
PARP1 P09874 1/20 0.31
F9 P00740 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL15581998 1.00 GPR3 (0.38) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582063 0.96 GPR3 (0.41) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582252 0.96 GPR3 (0.41) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582247 0.94 GPR3 (0.42) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582004 0.93 GPR3 (0.37) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582025 0.92 LIMK1 (0.43) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582067 0.92 LIMK1 (0.43) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15581954 0.92 LIMK1 (0.43) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582256 0.92 GPR3 (0.45) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL15582023 0.91 LIMK1 (0.40) GPR3RAB9ALIMK1PIM3ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 US disclosed
US-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-04-12 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-20180102484-A1 NEW COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC DEVICE CBX8, MLX, HAX1 GPR3 2856/4885MAPT 3591/4885ALDH1A1 2418/4885

“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.