SCHEMBL15399383

SCHEMBL15399383

Cc1ccc2ccc3c(c2n1)CC(C)O3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 4/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 2/20 0.37
METAP2 P50579 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
GAA P10253 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL7922619 0.75 BRD4 (0.38) RAB9ACCR1CCR5ALDH1A1HPGD
SCHEMBL12203811 0.69 NISCH (0.50) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL2170817 0.67 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ETSHR
Neocuproine SCHEMBL29367091 0.66 CCR1 (1.00) RAB9ACCR1CCR5MAPTKDM4E
Neocuproine SCHEMBL29639703 0.66 CCR1 (1.00) RAB9ACCR1CCR5MAPTKDM4E
Neocuproine SCHEMBL124563 0.66 CCR1 (1.00) RAB9ACCR1CCR5MAPTKDM4E
Neocuproine SCHEMBL11672280 0.66 CCR1 (1.00) RAB9ACCR1CCR5MAPTKDM4E
SCHEMBL10025568 0.66 ALDH1A1 (0.40) RAB9AALDH1A1HPGDMAPTKDM4E
SCHEMBL7947753 0.66 KDM4E (0.47) ALDH1A1HPGDMAPTKDM4ETSHR
SCHEMBL8122273 0.65 ALDH1A1 (0.44) ALDH1A1HPGDMAPTKDM4EBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 US 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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 RAB9A 3116/4885CCR1 3163/4885CCR5 2747/4885

“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.