SCHEMBL15840324

SCHEMBL15840324

Cc1cc(F)cc2nc(C)n(C)c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PARG Q86W56 1/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ HPD P32754 1/20 0.32

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
SCHEMBL15840323 0.87 GLA (0.40) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL15840303 0.83 ELANE (0.41) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL15840316 0.77 POLB (0.35) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL16310745 0.74 L3MBTL1 (0.38) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL15840304 0.73 POLB (0.36) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL15840322 0.73 L3MBTL1 (0.49) GLANPC1RAB9AMAPTATM
SCHEMBL15840306 0.73 PARP1 (0.41) ALDH1A1KDM4EGLAHPGDSMN1; SMN2
SCHEMBL7014708 0.72 ELANE (0.49) ALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL15836415 0.71 GAA (0.30) HPGD
SCHEMBL25169153 0.70 EGFR (0.42) ALDH1A1KDM4EGLAHPGDSMN1; SMN2

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 ALDH1A1 3939/4885KDM4E 3701/4885GLA 4173/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 ALDH1A1 3794/4885KDM4E 3924/4885GLA 3619/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 ALDH1A1 3794/4885KDM4E 3924/4885GLA 3619/4885

“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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