SCHEMBL15840334

SCHEMBL15840334

COc1cc(F)cc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 4/20 0.43
▸ CYP3A4 P08684 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ACHE P22303 2/20 0.36
▸ LMNA P02545 2/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ RET P07949 1/20 0.34
▸ KIF5B P33176 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL13929520 0.87 MEN1 (0.41) TUBB1CYP3A4ACHELMNANFE2L2
SCHEMBL13086666 0.81 TUBB1 (0.39) TUBB1CYP3A4ACHELMNANFE2L2
SCHEMBL30413681 0.77 MAPT (0.41) TUBB1CYP3A4FFAR4ACHENFE2L2
SCHEMBL26133106 0.77 FFAR4 (0.34) TUBB1CYP3A4FFAR4ACHELMNA
SCHEMBL30412068 0.77 FFAR4 (0.34) TUBB1CYP3A4FFAR4ACHELMNA
SCHEMBL2669934 0.77 FFAR4 (0.38) TUBB1CYP3A4FFAR4ACHENFE2L2
SCHEMBL21440016 0.77 MAPT (0.41) TUBB1CYP3A4FFAR4ACHENFE2L2
SCHEMBL25958954 0.77 NPC1 (0.38) TUBB1CYP3A4ACHELMNANFE2L2
SCHEMBL26359975 0.76 TUBB1 (0.43) TUBB1CYP3A4ACHELMNAMAPK1
SCHEMBL12446940 0.76 RAPGEF4 (0.42) TUBB1FFAR4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 — — EP disclosed
EP-2935246-B1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-07-25 — — EP disclosed
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 — — US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 — — US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 — — US disclosed
WO-2014100767-A1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 — — 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 (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-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 TUBB1 2346/4885CYP3A4 1589/4885FFAR4 2005/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 TUBB1 2346/4885CYP3A4 1589/4885FFAR4 2005/4885

“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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