SCHEMBL842265

SCHEMBL842265

Cc1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.61
CCR5 P51681 1/20 0.61
CCR8 P51685 1/20 0.61
CYP2A6 P11509 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
UHRF1 Q96T88 1/20 0.45
METAP2 P50579 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL31695263 0.89 CCR1 (0.76) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL27344644 0.89 CCR1 (0.76) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL29463685 0.85 CCR1 (0.70) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL6807225 0.85 CCR1 (0.70) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL19248539 0.84 CCR1 (0.61) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL2666352 0.81 CCR1 (0.57) CCR1CCR5CCR8CYP2A6RAB9A
SCHEMBL14082326 0.80 PTPN1 (0.64) NPC1RAB9AMEN1KMT2AABL1
SCHEMBL2190158 0.80 CYP2A6 (0.62) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL17406767 0.80 CCR1 (0.61) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL5956691 0.80 CCR1 (0.61) CCR1CCR5CCR8CYP2A6NPC1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
US-8367662-B2 Organic compounds NOVARTIS AG (CH) 2013-02-05 US disclosed
EP-2212323-B1 IMIDAZO [1,2-A] PYRIDINE DERIVATIVES USEFUL AS ALK INHIBITORS NOVARTIS AG (CH) 2012-08-15 EP disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143253-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
EP-2183027-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-08-31 EP disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100210641-A1 Organic Compounds NOVARTIS AG (CH) 2010-08-19 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20100204235-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-08-12 US disclosed
US-20040087623-A1 Pyrazole derivatives against tgf overexpression GLAXO GROUP LIMITED (GB) 2004-05-06 US disclosed
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
CN-1135227-C 2,6-twice substituted pyridine and 2,4-twice substituted pyrimidine for berbicide 2004-01-21 CN disclosed
EP-1355903-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
EP-1355870-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-29 EP disclosed
WO-2002066462-A1 PYRAZOLE DERIVATIVES AGAINST TGF OVEREXPRESSION GLAXO GROUP LIMITED (GB) 2002-08-29 WO disclosed
WO-2002062753-A1 THIAZOLAMINES AND THEIR USE AS TGF-BETA INHIBITORS GLAXO GROUP LIMITED (GB) 2002-08-15 WO disclosed
US-6090812-A THERAPY FOR PSYCHOLOGICAL, CENTRAL NERVOUS SYSTEM DISORDERS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2000-07-18 US disclosed
EP-0908458-A1 Substituted pyridylmethylpiperazine and -piperidine derivatives, their preparation and their use for treating central nervous system (CNS) disorders DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-04-14 EP disclosed
CN-1143078-A 2,6-twice substituted pyridine and 2,4-twice substituted pyrimidine for berbicide AMERICAN CYANAMID CO (US) 1997-02-19 CN 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-20100210641-A1 Organic Compounds ALK, ACVR1, ACVRL1 CCR1 202/4885CCR5 170/4885CCR8 361/4885
US-20100204235-A1 ORGANIC COMPOUNDS ALK, OR10J3, FFAR4 CCR1 368/4885CCR5 247/4885CCR8 523/4885
US-20040077687-A1 Thiazolmines and their use as tgf-beta inhibitors TGFBR1, TGFB1, TGFBR2 CCR1 509/4885CCR5 1105/4885CCR8 1652/4885
US-20040087623-A1 Pyrazole derivatives against tgf overexpression TGFBR1, SMAD3, TGFBR2 CCR1 824/4885CCR5 1748/4885CCR8 2395/4885

“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.