SCHEMBL22601487

SCHEMBL22601487

Ic1cc2c3ccccc3sc2c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
MAPT P10636 5/20 0.46
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP14 Q460N5 1/20 0.36
ALOX15 P16050 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HCRTR1 O43613 1/20 0.36

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
SCHEMBL22506075 0.85 MAPT (0.37) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL15497424 0.80 GPR3 (0.68) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL23729525 0.79 GPR3 (0.54) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL355686 0.79 GPR3 (0.54) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL24723524 0.77 GPR3 (0.42) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL22011432 0.76 TNKS (0.46) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL22147017 0.76 MAPT (0.54) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL24889416 0.76 GPR3 (0.50) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL1294718 0.76 GPR3 (0.50) GPR3MAPTTNKSTNKS2ALOX5
SCHEMBL10122734 0.76 GPR3 (0.50) GPR3MAPTTNKSTNKS2ALOX5

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
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 US disclosed
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2023-07-18 US disclosed
US-20200343455-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof NINGBO LUMILAN ADVANCED MATERIALS, CO., LTD. (CN) 2020-10-29 US disclosed
US-20200343456-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof NINGBO LUMILAN ADVANCED MATERIALS CO., LTD. (CN) 2020-10-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (4 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-20200343456-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof INTS9, INF2, CYBA GPR3 2505/4885MAPT 1059/4885TNKS 2827/4885
US-11706982-B2 Fused polycyclic compound, and preparation method and use thereof INF2, INTS9, PYM1 GPR3 2308/4885MAPT 955/4885TNKS 2686/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK GPR3 3584/4885MAPT 3187/4885TNKS 3289/4885
US-20200343455-A1 Fused Polycyclic Compound, and Preparation Method and Use Thereof INF2, INTS9, PYM1 GPR3 2308/4885MAPT 955/4885TNKS 2686/4885

“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.