SCHEMBL1597501

SCHEMBL1597501

FC(F)(F)c1ccccc1-c1nc2c(Cl)cccc2cc1CCl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.44
HSD11B1 P28845 3/20 0.41
TRPA1 O75762 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
P2RX7 Q99572 1/20 0.37
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
PTPN1 P18031 1/20 0.36
NR1H2 P55055 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
Hydrochloric Acid SCHEMBL1598895 0.99 PIK3CD (0.43) PIK3CDHSD11B1TRPA1TRPM8TRPV1
SCHEMBL1597707 0.89 PIK3CD (0.43) PIK3CDHSD11B1TRPA1TRPM8TRPV1
SCHEMBL10251720 0.86 P2RX7 (0.40) PIK3CDHSD11B1TRPA1P2RX7SCN9A
SCHEMBL1597706 0.86 PIK3CD (0.57) PIK3CDHSD11B1TRPA1TRPM8TRPV1
Hydrochloric Acid SCHEMBL4178728 0.85 P2RX7 (0.39) PIK3CDHSD11B1TRPA1P2RX7SCN9A
SCHEMBL1314085 0.85 PIK3CD (0.51) PIK3CDKMT2A
SCHEMBL4175812 0.83 PIK3CD (0.42) PIK3CDKMT2A
SCHEMBL10251492 0.81 PIK3CD (0.43) PIK3CDTRPA1SCN9A
SCHEMBL12560411 0.81 USP1 (0.43) HSD11B1TRPA1TRPM8TRPV1PTPN1
Hydrochloric Acid SCHEMBL4174187 0.81 PIK3CD (0.42) PIK3CDTRPA1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES CHEN YI 2011-06-23 US disclosed
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
US-7919498-B2 Substituted pyrazolo[3,4-d]pyrimidines as PI3K inhibitors AMGEN INC. (US) 2011-04-05 US disclosed
EP-2132207-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-16 EP disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 US disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 US disclosed
US-20090030002-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-01-29 US disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 WO disclosed
WO-2008118454-A2 DERIVATIVES OF QUINOLINE OR BENZOPYRAZINE AND THEIR USES FOR THE TREATMENT OF (INTER ALIA) INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES OR VARIOUS KINDS OF CANCER AMGEN INC. (US) 2008-10-02 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 (2 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-20110152277-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885HSD11B1 2935/4885TRPA1 2403/4885
US-20090030002-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 15/4885HSD11B1 2922/4885TRPA1 2462/4885

“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.