SCHEMBL13675373

SCHEMBL13675373

CCc1cccc(CNCCN(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.49
VSIR Q9H7M9 2/20 0.46
MAP4K4 O95819 1/20 0.45
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CHRM2 P08172 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CXCR4 P61073 1/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL30119905 0.85 TERT (0.48) TERTVSIRMAP4K4CYP1A2CYP2D6
SCHEMBL11983543 0.83 TERT (0.49) TERTVSIRMAP4K4CYP2D6SMN1; SMN2
SCHEMBL13154916 0.82 BCHE (0.49) TERTVSIRMAP4K4SMN1; SMN2CHRM2
SCHEMBL16269649 0.81 TAAR1 (0.62) TERTVSIRMAP4K4SMN1; SMN2TAAR1
SCHEMBL16269355 0.81 TAAR1 (0.62) TERTVSIRMAP4K4CYP1A2CYP2D6
SCHEMBL12993252 0.81 CHRM2 (0.65) TERTCYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL2859649 0.81 SCN8A (0.56) TERTCYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL133622 0.80 MEN1 (0.64) VSIRCHRM2SIGMAR1MEN1KMT2A
SCHEMBL16136713 0.79 TERT (0.54) TERTCYP1A2CYP2D6CYP2C19CHRM2
SCHEMBL12779743 0.79 CHRM2 (0.68) SMN1; SMN2CHRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017158151-A1 PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2017-09-21 WO disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 EP disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 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 (4 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 TERT 3117/4885VSIR 3342/4885MAP4K4 2098/4885
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL TERT 634/4885VSIR 4743/4885MAP4K4 700/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 TERT 3439/4885VSIR 4341/4885MAP4K4 2213/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 TERT 3285/4885VSIR 4584/4885MAP4K4 99/4885

“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.