SCHEMBL2169969

SCHEMBL2169969

O=Cc1ccc2ccc(F)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
ALDH1A1 P00352 2/20 0.39
TERT O14746 1/20 0.37
KDM4E B2RXH2 3/20 0.37
BACE1 P56817 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE10A Q9Y233 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1914989 0.86 BACE1 (0.53) CCR1ALDH1A1TERTKDM4EBACE1
SCHEMBL6819092 0.80 CCR1 (0.48) CCR1ALDH1A1TERTKDM4EKMT2A
SCHEMBL14941467 0.80 KDM4E (0.37) ALDH1A1KDM4EBACE1CYSLTR2CYSLTR1
SCHEMBL28621619 0.78 CCR1 (0.50) CCR1ALDH1A1KDM4EKMT2ANPC1
SCHEMBL3530571 0.76 CYP1A2 (0.55) CCR1ALDH1A1TERTKDM4EKMT2A
SCHEMBL18572379 0.76 CCR1 (0.48) CCR1ALDH1A1KDM4ECYSLTR2CYSLTR1
SCHEMBL29954808 0.76 CCR1 (0.48) CCR1ALDH1A1KDM4ECYSLTR2CYSLTR1
SCHEMBL3748357 0.76 CCR1 (0.48) CCR1ALDH1A1TERTKDM4ECYSLTR2
SCHEMBL2016701 0.76 BACE1 (0.52) CCR1ALDH1A1TERTKDM4EBACE1
SCHEMBL15285083 0.76 PFKFB3 (0.55) CCR1ALDH1A1KDM4EBACE1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 EP disclosed
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 US disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
EP-2699569-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals LLC (US) 2014-02-26 EP disclosed
WO-2012145617-A9 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2014-02-20 WO disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed
WO-2012145617-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2012-10-26 WO disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 US disclosed
EP-2346862-B1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-09-12 EP disclosed
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-11 US disclosed
EP-2346862-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-07-27 EP disclosed
WO-2010041219-A1 2-BENZOTHIOPHENYL-AND 2-NAPHTHYL-0XAZ0LIDIN0NES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-15 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 (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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CCR1 3163/4885ALDH1A1 2688/4885TERT 616/4885
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 CCR1 2728/4885ALDH1A1 3305/4885TERT 2382/4885
US-20110195949-A1 2-BENZOTHIOPHENYL- AND 2-NAPHTHYL-OXAZOLIDINONES AND THEIR AZAISOSTERE ANALOGUES AS ANTIBACTERIAL AGENTS UQCRB, XDH, TOP2B CCR1 4840/4885ALDH1A1 2026/4885TERT 1937/4885

“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.