SCHEMBL2388136

SCHEMBL2388136

CCn1c(Oc2ccc3cc[nH]c3c2)nnc1[C@@H](C)N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOA P21397 1/20 0.39
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA10 Q9GZZ6 2/20 0.37
CHRNA9 Q9UGM1 2/20 0.37
ADORA1 P30542 1/20 0.35
BACE1 P56817 2/20 0.34
ESR1 P03372 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
LTA4H P09960 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL12179893 0.91 ADORA1 (0.41) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12310377 0.91 MEN1 (0.48) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12310539 0.82 KMT2A (0.49) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12161616 0.82 S1PR1 (0.43) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12161629 0.82 S1PR1 (0.43) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12162362 0.82 MEN1 (0.44) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL2279090 0.82 MEN1 (0.44) MEN1POLBMAPK1KMT2AMAOA
SCHEMBL12162235 0.82 CYP1A2 (0.39) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL12179908 0.79 AXL (0.48) MEN1KMT2AKDRTSHR
SCHEMBL12161590 0.78 S1PR1 (0.49) KMT2AESR1S1PR1S1PR3

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
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269960-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-8022091-B2 Triazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041655-A1 TRIAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-02-18 US disclosed
EP-1988083-A1 TRIAZOLE DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2008-11-05 EP 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-20110269960-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 MEN1 1062/4885POLB 4784/4885MAPK1 756/4885
US-20100041655-A1 TRIAZOLE DERIVATIVE S1PR3, S1PR1, S1PR5 MEN1 1061/4885POLB 4776/4885MAPK1 779/4885

“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.