SCHEMBL851034

SCHEMBL851034

C=CCNc1cc(C)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 2/20 0.61
NOS2 P35228 1/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC2A1 P11166 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2814068 0.79 SLC2A1 (0.43) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3672665 0.79 HCAR3 (0.44) ALDH1A1LMNANOS2KMT2AMEN1
SCHEMBL827847 0.77 NOS2 (0.61) ALDH1A1LMNANOS2KMT2AMEN1
SCHEMBL29293764 0.76 ALDH1A1 (0.50) ALDH1A1LMNANOS2KMT2AMEN1
SCHEMBL13819284 0.75 ALDH1A1 (0.57) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL11961829 0.74 NOS2 (0.57) ALDH1A1NOS2KMT2AMEN1POLB
SCHEMBL12698 0.74 CYP2C19 (0.60) ALDH1A1LMNANOS2KMT2AMEN1
SCHEMBL11127455 0.73 HCAR3 (0.40) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL11127452 0.73 HCAR3 (0.40) ALDH1A1LMNAKMT2AMEN1POLB
SCHEMBL8230644 0.73 HCAR3 (0.57) ALDH1A1LMNACYP1A2CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2017-11-02 US disclosed
US-9617221-B2 Kinase modulators for the treatment of cancer SYNOVO GMBH (DE) 2017-04-11 US disclosed
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2013-02-21 US disclosed
US-8143294-B2 2-sulfanyl-substituted imidazole derivatives and their use as cytokine inhibitors BURNET MICHAEL (DE) 2012-03-27 US disclosed
WO-2011100769-A2 KINASE MODULATORS FOR THE TREATMENT OF CANCER SYNOVO GMBH (DE) 2011-08-18 WO disclosed
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SYNOVO GMBH (DE) 2009-10-29 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-20170313661-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885LMNA 3889/4885NOS2 789/4885
US-20130045938-A1 KINASE MODULATORS FOR THE TREATMENT OF CANCER MAP3K10, MAP3K12, MAP3K20 ALDH1A1 4439/4885LMNA 3889/4885NOS2 789/4885
US-20090270462-A1 2-SULFANYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B ALDH1A1 1127/4885LMNA 4871/4885NOS2 141/4885

“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.