Sugi Predict

Sugi Predict / Compounds / SCHEMBL15840328

SCHEMBL15840328

SCHEMBL15840328

CCn1c(C)nc2ccc(F)c(C)c2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B10 O60218 5/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL17449514 0.88 CYP1A2 (0.37) AKR1B10CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL15840333 0.84 KDM4E (0.39) CYP1A2SMN1; SMN2LMNAHTTGAA
SCHEMBL17449521 0.82 ACSS2 (0.41) AKR1B10CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL15840326 0.80 KDM4E (0.38) LMNAKDM4EALDH1A1POLBL3MBTL1
SCHEMBL17449507 0.79 HPGD (0.38) AKR1B10CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL17449511 0.78 HPGD (0.40) AKR1B10CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL17449505 0.76 HSD17B13 (0.39) AKR1B10CYP1A2LMNAKDM4ECYP3A4
SCHEMBL15840311 0.72 CYP1A2 (0.43) CYP1A2SMN1; SMN2LMNAHTTGAA
SCHEMBL17449523 0.71 ELANE (0.42) AKR1B10CYP1A2LMNAGAAKDM4E
SCHEMBL8347845 0.70 SMN1; SMN2 (0.60) AKR1B10CYP1A2SMN1; SMN2LMNAHTT

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-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-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 AKR1B10 1693/4885CYP1A2 1502/4885SMN1; SMN2 1453/4885
US-20140179718-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 AKR1B10 1640/4885CYP1A2 1728/4885SMN1; SMN2 1232/4885
US-20160016915-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3R5, PIK3CA, PIK3R4 AKR1B10 1640/4885CYP1A2 1728/4885SMN1; SMN2 1232/4885

“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.