SCHEMBL1637367

SCHEMBL1637367

Cn1ccnc1CN(Cc1ccc(C=O)cc1)Cc1ncc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.64
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAAR1 Q96RJ0 5/20 0.37
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPKAPK2 P49137 2/20 0.31
POLB P06746 1/20 0.31
HDAC1 Q13547 1/20 0.30

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
SCHEMBL2123473 0.88 KMT2A (0.58) CXCR4MEN1KMT2ATSHRALDH1A1
SCHEMBL1637100 0.86 CXCR4 (0.72) CXCR4MEN1KMT2ATAAR1TSHR
SCHEMBL1637273 0.86 CXCR4 (0.72) CXCR4MEN1KMT2ATAAR1TSHR
SCHEMBL1637097 0.86 CXCR4 (0.72) CXCR4MEN1KMT2ATAAR1TSHR
SCHEMBL2127047 0.86 CYP2D6 (0.46) CXCR4TAAR1TSHRCYP2D6LMNA
SCHEMBL13785302 0.84 CXCR4 (0.64) CXCR4MEN1KMT2ATAAR1TSHR
SCHEMBL1636462 0.83 CXCR4 (0.70) CXCR4MEN1KMT2ATAAR1TSHR
SCHEMBL1636460 0.83 CXCR4 (0.70) CXCR4MEN1KMT2ATAAR1TSHR
SCHEMBL1637422 0.82 CXCR4 (0.85) CXCR4TAAR1
SCHEMBL1637905 0.81 CXCR4 (0.76) CXCR4TAAR1TSHRCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724263-B1 BASIC AMINE COMPOUND AND USE THEREOF KUREHA CORP (JP) 2014-03-05 EP disclosed
US-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF KUREHA CORPORATION (JP) 2011-07-14 US disclosed
US-7932281-B2 Amine-based compound and use thereof KUREHA CORPORATION (JP) 2011-04-26 US disclosed
US-20070208007-A1 Amine-Based Compound and Use Thereof KUREHA CORPORATION (JP) 2007-09-06 US disclosed
EP-1724263-A1 BASIC AMINE COMPOUND AND USE THEREOF Kureha Corporation (JP) 2006-11-22 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-20110172212-A1 AMINE-BASED COMPOUND AND USE THEREOF NR0B2, NR5A2, NR1D2 CXCR4 86/4885MEN1 1008/4885KMT2A 474/4885
US-20070208007-A1 Amine-Based Compound and Use Thereof NR0B2, NR5A2, NR2E1 CXCR4 100/4885MEN1 1361/4885KMT2A 488/4885

“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.