SCHEMBL24908474

SCHEMBL24908474

COc1cccc(-n2cc(C(C)C)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
NOTUM Q6P988 2/20 0.51
RXRA P19793 9/20 0.50
GRIN1 Q05586 9/20 0.50
GRIN2B Q13224 9/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CA2 P00918 1/20 0.46
KDM1A O60341 1/20 0.46
CYP1B1 Q16678 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
S1PR4 O95977 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL25897473 0.86 BCHE (0.48) BCHENOTUMRXRAGRIN1GRIN2B
SCHEMBL25820296 0.81 RXRA (0.58) RXRAGRIN1GRIN2B
SCHEMBL25868678 0.81 RXRA (0.50) RXRAGRIN1GRIN2BKEAP1NFE2L2
SCHEMBL10257033 0.80 NOTUM (0.56) NOTUMRXRAGRIN1GRIN2BKEAP1
SCHEMBL26326055 0.80 BCHE (0.56) BCHENOTUMRXRAGRIN1GRIN2B
SCHEMBL24908499 0.79 MIF (0.49) NOTUMRXRAGRIN1GRIN2B
SCHEMBL13119830 0.79 P2RX7 (0.50) NOTUMALDH1A1NPC1
SCHEMBL23603985 0.77 NOTUM (0.59) NOTUMRXRAGRIN1GRIN2BCA12
SCHEMBL17452648 0.76 BCHE (0.50) BCHENOTUMRXRAGRIN1GRIN2B
SCHEMBL23008630 0.76 CYP1B1 (0.37) NOTUMRXRAGRIN1GRIN2BCYP1B1

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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins UNIV YALE (US) 2023-07-27 US disclosed
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2023-01-19 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-20230233689-A1 Bifunctional Small Molecules to Target the Selective Degradation of Circulating Proteins ASGR1, LDLR, FCGR2A BCHE 1907/4885NOTUM 1881/4885RXRA 510/4885
US-20230014445-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 BCHE 2849/4885NOTUM 2481/4885RXRA 1049/4885

“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.