SCHEMBL2123504

SCHEMBL2123504

Cc1ccnc(-c2nc3ncccc3c(Cl)c2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.48
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
CYP2A6 P11509 1/20 0.40
IDO1 P14902 2/20 0.40
DHODH Q02127 2/20 0.39
ELANE P08246 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.34
HSP90AA1 P07900 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
METAP2 P50579 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
ADAM17 P78536 1/20 0.34
KMT2A Q03164 1/20 0.34
KLF5 Q13887 1/20 0.34

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
SCHEMBL2124941 0.84 KDM4E (0.45) PIK3CACCR1CCR5CCR8DHODH
SCHEMBL2711929 0.82 SMN1; SMN2 (0.45) CCR1CCR5CCR8CYP2A6ACHE
SCHEMBL249770 0.80 CCR1 (0.42) PIK3CACCR1CCR5CCR8CYP2A6
SCHEMBL2124987 0.77 DHODH (0.62) PIK3CADHODHALDH1A1MEN1RAB9A
SCHEMBL251723 0.75 DHODH (0.44) PIK3CAIDO1DHODHBCHEACHE
SCHEMBL2124508 0.74 PIK3CA (0.46) PIK3CACCR1CCR5CCR8CYP2A6
SCHEMBL252439 0.74 L3MBTL1 (0.44) CCR1CCR8IDO1DHODHACHE
SCHEMBL2125285 0.73 DHODH (0.45) PIK3CADHODHBCHEACHEALDH1A1
SCHEMBL2124596 0.73 PIK3CA (0.47) PIK3CACCR1CCR5CCR8
SCHEMBL2126492 0.72 CCR1 (0.40) PIK3CACCR1CCR5CCR8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885CCR1 1195/4885CCR5 1985/4885

“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.