SCHEMBL2124508

SCHEMBL2124508

Cc1ccnc(-c2nc3cnccc3c(Cl)c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.46
CYP2A6 P11509 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
DHODH Q02127 3/20 0.38
LATS1 O95835 10/20 0.36
METAP2 P50579 1/20 0.36
IDO1 P14902 1/20 0.35
LATS2 Q9NRM7 5/20 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
SCHEMBL2711929 0.83 SMN1; SMN2 (0.45) CYP2A6CCR1CCR5CCR8
SCHEMBL2124649 0.82 KDM4E (0.49) PIK3CACYP2A6CCR1CCR5CCR8
SCHEMBL2124596 0.80 PIK3CA (0.47) PIK3CACCR1CCR5CCR8
SCHEMBL2608586 0.77 DHODH (0.42) PIK3CACYP2A6DHODHLATS1LATS2
SCHEMBL2126711 0.74 PIK3CA (0.43) PIK3CADHODHLATS1IDO1
SCHEMBL2123504 0.74 PIK3CA (0.48) PIK3CACYP2A6CCR1CCR5CCR8
SCHEMBL249770 0.73 CCR1 (0.42) PIK3CACYP2A6CCR1CCR5CCR8
SCHEMBL2123197 0.73 RORC (0.43) DHODHLATS1IDO1LATS2
SCHEMBL2124665 0.72 KDM4C (0.50) PIK3CADHODH
SCHEMBL2126492 0.71 CCR1 (0.40) PIK3CACYP2A6CCR1CCR5CCR8

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 13 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-2632422-A1 ACTIVE INGREDIENT COMBINATION AND ANTI-DANDRUFF HAIR TREATMENT PRODUCTS III Henkel AG & Co. KGaA (DE) 2013-09-04 EP disclosed
EP-2632417-A1 ACTIVE INGREDIENT COMBINATION AND ANTI-DANDRUFF HAIR TREATMENT PRODUCTS II Henkel AG & Co. KGaA (DE) 2013-09-04 EP disclosed
WO-2012055586-A1 ACTIVE INGREDIENT COMBINATION AND ANTI-DANDRUFF HAIR TREATMENT PRODUCTS II HENKEL AG & CO. KGAA (DE) 2012-05-03 WO disclosed
WO-2012055587-A1 ACTIVE INGREDIENT COMBINATION AND ANTI-DANDRUFF HAIR TREATMENT PRODUCTS III HENKEL AG & CO. KGAA (DE) 2012-05-03 WO 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 28/4885CYP2A6 2468/4885CCR1 1195/4885

“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.