SCHEMBL414059

SCHEMBL414059

Clc1nc2c(c(N3CCOCC3)n1)CNC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
RAF1 P04049 3/20 0.37
BRAF P15056 3/20 0.37
POLB P06746 2/20 0.37
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
Hydrochloric Acid SCHEMBL22718448 0.98 MTOR (0.43) MTORSMN1; SMN2HTR2CHTR2BMAPT
Trifluoroacetic Acid SCHEMBL442381 0.87 MTOR (0.44) MTORSMN1; SMN2HTR2CHTR2BMAPT
SCHEMBL23493540 0.87 HTR2C (0.51) MTORSMN1; SMN2HTR2CHTR2BMAPT
SCHEMBL20042813 0.85 HTR2C (0.37) MTORSMN1; SMN2HTR2CALDH1A1
SCHEMBL22727886 0.81 MTOR (0.47) MTORHTR2CHTR2BMAPTLMNA
SCHEMBL413900 0.76 MTOR (0.44) MTORPIK3R1PIK3CA
SCHEMBL442259 0.76 MTOR (0.44) MTORPIK3R1PIK3CA
SCHEMBL2266744 0.76 ALDH1A1 (0.51) SMN1; SMN2HTR2CHTR2BLMNAPOLB
Hydrochloric Acid SCHEMBL443379 0.76 MTOR (0.43) MTORPIK3R1PIK3CA
Hydrochloric Acid SCHEMBL443380 0.76 MTOR (0.43) MTORPIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168315-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VIOGEN BIOSCIENCES, LLC 2022-06-02 US disclosed
WO-2020243457-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VIOGEN BIOSCIENCES, LLC (US) 2020-12-03 WO disclosed
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
EP-2406258-B1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LTD (GB) 2014-12-03 EP disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED 2014-10-02 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-8785457-B2 Pyrimidine derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2014-07-22 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
US-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2012-03-15 US disclosed
EP-2406258-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS Cellzome Limited (GB) 2012-01-18 EP disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 WO disclosed
WO-2010103094-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS CELLZOME LIMITED (GB) 2010-09-16 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-20120065202-A1 PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885SMN1; SMN2 2902/4885HTR2C 3560/4885
US-20140296234-A1 PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885SMN1; SMN2 2902/4885HTR2C 3560/4885
US-20220168315-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF IL15, IL17A, IL2 MTOR 367/4885SMN1; SMN2 100/4885HTR2C 2132/4885

“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.