SCHEMBL30322250

SCHEMBL30322250

Cn1nc(B(O)O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ GPR3 P46089 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ DDB1 Q16531 4/20 0.38
▸ CRBN Q96SW2 4/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.35
▸ SLC22A2 O15244 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35

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
SCHEMBL17686675 1.00 KDM4E (0.44) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL29901540 0.74 GPR3 (0.44) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL19986782 0.74 GPR3 (0.44) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL12998307 0.74 KDM4E (0.47) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL30506312 0.71 GLS (0.56) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL147947 0.71 GLS (0.56) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL17688375 0.70 CNR1 (0.54) KDM4ECNR1CNR2ALDH1A1CYP3A4
SCHEMBL31172010 0.69 GPR3 (0.44) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL21379983 0.69 GPR3 (0.44) KDM4EGPR3HTR2AHTR2CHTR2B
SCHEMBL29461124 0.69 GPR3 (0.44) KDM4EGPR3HTR2AHTR2CHTR2B

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-11878970-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-23 — — US disclosed
US-20230096175-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-03-30 — — 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 (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-11878970-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 KDM4E 2656/4885GPR3 292/4885HTR2A 935/4885
US-20230096175-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 KDM4E 2656/4885GPR3 292/4885HTR2A 935/4885

“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.

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