SCHEMBL15840323

SCHEMBL15840323

Cc1nc2cc(F)cc(F)c2c(=O)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PARG Q86W56 1/20 0.33
▸ HPGD P15428 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
SCHEMBL15840316 0.87 POLB (0.35) GLAL3MBTL1NPC1RAB9AMAPT
SCHEMBL15840324 0.87 ALDH1A1 (0.37) GLAL3MBTL1NPC1RAB9AMAPT
SCHEMBL16310745 0.84 L3MBTL1 (0.38) GLAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL15840329 0.77 PARP1 (0.51) GLAL3MBTL1NPC1ALDH1A1KDM4E
SCHEMBL15840312 0.75 GLA (0.38) GLAL3MBTL1MAPTPOLBKDM4E
SCHEMBL15840322 0.73 L3MBTL1 (0.49) GLAL3MBTL1NPC1RAB9AMAPT
SCHEMBL15840331 0.73 PARP1 (0.37) GLAL3MBTL1NPC1POLBALDH1A1
SCHEMBL15840326 0.73 KDM4E (0.38) GLAL3MBTL1NPC1RAB9AMAPT
SCHEMBL15840310 0.72 PARG (0.43) GLAL3MBTL1POLBALDH1A1KDM4E
SCHEMBL15840303 0.72 ELANE (0.41) GLANPC1RAB9AALDH1A1KDM4E

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-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC. 2016-01-21 — — US disclosed
US-9221795-B2 Phosphatidylinositol 3-kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-12-29 — — US disclosed
US-9029384-B2 Phosphatidylinositol 3-kinase inhibitors Gilead Calistoga, LLC. (US) 2015-05-12 — — US disclosed
US-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC 2014-12-18 — — US disclosed
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 — — 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 (3 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-20140371246-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, PIK3R4, PIK3R5 GLA 4173/4885L3MBTL1 3296/4885NPC1 645/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 GLA 3619/4885L3MBTL1 3566/4885NPC1 544/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 GLA 3619/4885L3MBTL1 3566/4885NPC1 544/4885

“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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