SCHEMBL2369433

SCHEMBL2369433

Clc1cc(-c2ccccn2)nc(Cl)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.63
CCR5 P51681 3/20 0.63
CCR8 P51685 3/20 0.63
KDM4E B2RXH2 8/20 0.54
LMNA P02545 3/20 0.54
METAP1 P53582 3/20 0.54
CYP1A2 P05177 1/20 0.54
POLB P06746 1/20 0.54
BLM P54132 1/20 0.54
HIF1A Q16665 1/20 0.54
DOHH Q9BU89 1/20 0.54
P4HTM Q9NXG6 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
TP53 P04637 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
ALOX15 P16050 3/20 0.52
HTT P42858 2/20 0.52
ALPL P05186 1/20 0.52
HSP90AA1 P07900 1/20 0.52

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
SCHEMBL4490247 0.85 CCR1 (0.63) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL29545764 0.85 CCR1 (0.63) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL604517 0.81 CCR1 (0.59) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL25004067 0.80 CCR1 (0.58) CCR1CCR5CCR8KDM4ELMNA
Hydrochloric Acid SCHEMBL28907429 0.79 CCR1 (0.79) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL517337 0.78 CCR1 (1.00) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL23079802 0.77 CCR1 (0.62) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1442585 0.76 TDP1 (0.68) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL24075503 0.76 CCR1 (0.57) CCR1CCR5CCR8KDM4ELMNA
SCHEMBL1536559 0.76 KDM4E (0.61) CCR1CCR5CCR8KDM4ELMNA

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-9249129-B2 Morpholino substituted urea derivatives as mTOR inhibitors CELLZOME LIMITED (GB) 2016-02-02 US disclosed
EP-2542536-B1 Morpholino substituted urea derivatives as mtor inhibitors CELLZOME LTD (GB) 2015-01-21 EP disclosed
US-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2013-08-01 US disclosed
EP-2542536-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS Cellzome Limited (GB) 2013-01-09 EP disclosed
WO-2011107585-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS CELLZOME LIMITED (GB) 2011-09-09 WO disclosed
US-6372751-B1 DRUGS WITH BENZENE AND PYRIMIDINE RINGS BERLEX LABORATORIES, INC. 2002-04-16 US disclosed
EP-1135131-A4 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LAB (US) 2002-01-02 EP disclosed
EP-1135131-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 2001-09-26 EP disclosed
US-6127376-A A BLOOD FACTOR XA ENZYME INHIBITOR TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. (US) 2000-10-03 US disclosed
WO-2000033844-A1 ARYL AND HETEROCYCLYL SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTI-COAGULANTS BERLEX LATORATORIES, INC. (US) 2000-06-15 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 (1 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-20130196982-A1 MORPHOLINO SUBSTITUTED UREA DERIVATIVES AS MTOR INHIBITORS MTOR, EIF4E, EIF4A1 CCR1 4122/4885CCR5 4253/4885CCR8 4677/4885

“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.