SCHEMBL26890905

SCHEMBL26890905

Cc1c(-c2ccccc2)oc2c([C@@H](C)N)cc(C(F)(F)F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.44
▸ ALDH1A1 P00352 5/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ LMNA P02545 5/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ ADRA1A P35348 1/20 0.37

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
SCHEMBL27127603 1.00 PIK3CA (0.44) PIK3CAALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL30742309 1.00 PIK3CA (0.44) PIK3CAALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL24913011 0.84 ALDH1A1 (0.46) PIK3CAALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL26880870 0.84 ALDH1A1 (0.46) PIK3CAALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL27132457 0.84 PIK3CA (0.39) PIK3CACYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26884436 0.84 PIK3CA (0.39) PIK3CACYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30584385 0.83 ALDH1A1 (0.45) PIK3CAALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL26881520 0.82 PIK3CA (0.39) PIK3CA
SCHEMBL26881603 0.82 PIK3CA (0.36) PIK3CACYP1A2CYP1A1CYP1B1
SCHEMBL27126842 0.82 PIK3CA (0.36) PIK3CACYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — US disclosed
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 — — US disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 — — WO 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-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 PIK3CA 1/4885ALDH1A1 3412/4885CYP3A4 610/4885

“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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