SCHEMBL15840329

SCHEMBL15840329

Cc1nc2cccc(F)c2c(=O)n1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
HRH3 Q9Y5N1 2/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HCAR1 Q9BXC0 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE7B Q9NP56 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7014708 0.83 ELANE (0.49) PARP1HRH3KCNH2L3MBTL1KDM4E
SCHEMBL30397075 0.82 KDM4E (0.57) PARP1HRH3KCNH2TRPV4KDM4E
SCHEMBL30396824 0.82 PARP1 (0.46) PARP1HRH3KCNH2TRPV4KDM4E
SCHEMBL16596949 0.80 GAA (0.53) PARP1HRH3KCNH2L3MBTL1KDM4E
SCHEMBL20404253 0.80 PARP1 (0.51) PARP1HRH3KCNH2NPC1KDM4E
SCHEMBL15519378 0.80 CHEK1 (0.41) PARP1KMT2AMEN1KDM4EHCAR1
SCHEMBL15840331 0.80 PARP1 (0.37) PARP1HRH3KCNH2NPC1L3MBTL1
SCHEMBL15840326 0.80 KDM4E (0.38) PARP1HRH3KCNH2NPC1L3MBTL1
SCHEMBL16310614 0.80 ALDH1A1 (0.53) PARP1HRH3KCNH2KMT2AMEN1
SCHEMBL17449525 0.80 KDM4E (0.36) PARP1HRH3KCNH2KMT2AMEN1

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 PARP1 1220/4885HRH3 1844/4885KCNH2 3333/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PARP1 1382/4885HRH3 2292/4885KCNH2 3111/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 PARP1 1382/4885HRH3 2292/4885KCNH2 3111/4885

“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.