Sugi Predict

Sugi Predict / Compounds / SCHEMBL6893465

SCHEMBL6893465

SCHEMBL6893465

COC(=O)c1cc(-c2cc(N)n3ncc(-c4cnc5ccccc5c4)c3n2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALPL P05186 1/20 0.37
▸ PDGFRB P09619 2/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ CCNA2 P20248 1/20 0.36

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
SCHEMBL6894012 0.86 PIK3CA (0.44) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL6893210 0.83 KDM4E (0.43) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL7876265 0.81 KDM4E (0.43) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL6893413 0.80 MAPT (0.44) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL6893512 0.79 MAPT (0.47) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL6894509 0.78 FYN (0.44) KDM4EALDH1A1NPC1HPGDTSHR
SCHEMBL10234075 0.75 CHEK1 (0.46) KDM4EALDH1A1NPC1HPGDTSHR
SCHEMBL6894246 0.75 MEN1 (0.43) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL597527 0.75 CHEK1 (0.44) PIK3CAKDM4EALDH1A1NPC1HPGD
SCHEMBL6894504 0.75 MAPT (0.43) PIK3CAKDM4EALDH1A1NPC1HPGD

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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — 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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 PIK3CA 2681/4885KDM4E 3091/4885ALDH1A1 1242/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PIK3CA 34/4885KDM4E 1448/4885ALDH1A1 3479/4885

“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.