SCHEMBL2369751

SCHEMBL2369751

CSc1nc(Cl)cc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
PDCD1 Q15116 12/20 0.46
CD274 Q9NZQ7 12/20 0.46
ATR Q13535 11/20 0.46
CHEK1 O14757 11/20 0.46
ATRIP Q8WXE1 10/20 0.46
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.40
PDE4D Q08499 1/20 0.39

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
SCHEMBL2369754 1.00 KMT2A (0.64) KMT2APDCD1CD274ATRCHEK1
SCHEMBL20741651 1.00 KMT2A (0.64) KMT2APDCD1CD274ATRCHEK1
SCHEMBL30629322 0.84 PDCD1 (0.47) KMT2APDCD1CD274ATRCHEK1
SCHEMBL20797918 0.84 KMT2A (0.60) KMT2AATRATRIPPIK3CDPIK3CA
SCHEMBL2369761 0.83 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL15805519 0.83 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL2369766 0.83 PDCD1 (0.49) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL15805547 0.82 MTOR (0.52) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL20692991 0.82 MTOR (0.52) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL15805552 0.82 MTOR (0.52) PDCD1CD274ATRCHEK1ATRIP

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028954-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2018-07-24 US disclosed
US-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-08-24 US disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
US-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 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 (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-20170239246-A9 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, XDH KMT2A 2524/4885PDCD1 4332/4885CD274 4270/4885
US-10028954-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, XDH KMT2A 2524/4885PDCD1 4332/4885CD274 4270/4885
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 KMT2A 1849/4885PDCD1 2737/4885CD274 4168/4885

“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.