SCHEMBL15344111

SCHEMBL15344111

Cc1ccnc(-c2cnc(N3CCOCC3)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.53
PIK3R1 P27986 2/20 0.53
PIK3CD O00329 2/20 0.53
PIK3CB P42338 1/20 0.53
AOC3 Q16853 7/20 0.50
KCNH2 Q12809 3/20 0.50
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
LRRK2 Q5S007 1/20 0.48
MAPT P10636 1/20 0.47
CNR2 P34972 1/20 0.47
MAP3K12 Q12852 1/20 0.46
CYP2A6 P11509 1/20 0.45
MTOR P42345 1/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL15344113 0.84 CCR1 (0.52) CCR1CCR5CCR8CYP2A6
SCHEMBL15340913 0.83 PIK3CA (0.49) PIK3CAPIK3R1PIK3CDPIK3CBAOC3
SCHEMBL5956436 0.82 CCR1 (0.53) CCR1CCR5CCR8LRRK2MAPT
SCHEMBL13680654 0.79 AOC3 (0.54) PIK3CAAOC3KCNH2LRRK2MAPT
SCHEMBL1310027 0.79 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBCCR1
SCHEMBL6938016 0.77 POLB (0.58) PIK3CAPIK3R1PIK3CDPIK3CBAOC3
SCHEMBL13680682 0.75 PIK3CA (0.52) PIK3CAPIK3R1PIK3CDPIK3CBAOC3
SCHEMBL18117938 0.75 PIK3CA (0.48) PIK3CAPIK3R1PIK3CDPIK3CBCCR1
SCHEMBL827848 0.74 PIK3CA (0.58) PIK3CACCR1CCR5CCR8LRRK2
SCHEMBL13680708 0.72 CNR2 (0.48) PIK3CAPIK3R1PIK3CDPIK3CBAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIK3CA 3252/4885PIK3R1 4092/4885PIK3CD 3591/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIK3CA 894/4885PIK3R1 1075/4885PIK3CD 759/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIK3CA 894/4885PIK3R1 1075/4885PIK3CD 759/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIK3CA 3252/4885PIK3R1 4092/4885PIK3CD 3591/4885

“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.