SCHEMBL3870198

SCHEMBL3870198

N#Cc1ccnc(CCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
MBOAT4 Q96T53 1/20 0.39
CLK4 Q9HAZ1 1/20 0.37
KCNH2 Q12809 1/20 0.35
NPY5R Q15761 1/20 0.35
NOTUM Q6P988 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
VNN1 O95497 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 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
SCHEMBL29478779 0.85 NOTUM (0.43) CCNCCDK8MBOAT4CLK4KCNH2
SCHEMBL481078 0.85 NOTUM (0.43) CCNCCDK8MBOAT4CLK4KCNH2
SCHEMBL7219031 0.81 KDM4E (0.49) CCNCCDK8MBOAT4LMNAKDM4E
SCHEMBL3869976 0.81 CCNC (0.40) CCNCCDK8MBOAT4CLK4LMNA
SCHEMBL4963448 0.79 MBOAT4 (0.40) CCNCCDK8MBOAT4LMNAKDM4E
SCHEMBL29069480 0.77 CCNC (0.37) CCNCCDK8MBOAT4CLK4SLC22A12
SCHEMBL22637777 0.77 MBOAT4 (0.39) CCNCCDK8MBOAT4CLK4KDM4C
SCHEMBL13738243 0.77 CCNC (0.37) CCNCCDK8MBOAT4CLK4KCNH2
SCHEMBL18078827 0.77 MBOAT4 (0.40) CCNCCDK8MBOAT4CLK4LMNA
SCHEMBL16532586 0.77 MBOAT4 (0.43) CCNCCDK8MBOAT4CLK4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590062-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2026-03-31 US disclosed
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
EP-3612525-A1 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2020-02-26 EP disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 US disclosed
WO-2018195321-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2018-10-25 WO disclosed
EP-2069364-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5-D]PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2009-06-17 EP disclosed
EP-2069365-A1 NOVEL 5,7-DISUBSTITUTED [1, 3]THIAZOLO [4, 5D]PYRIMIDIN-2 (3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2009-06-17 EP disclosed
WO-2008039139-A1 NOVEL 5,7-DISUBSTITUTED [1, 3] THIAZOLO [4, 5] PYRIMIDIN-2 (3H)-AMINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO disclosed
WO-2008039138-A1 NOVEL 5, 7-DISUBSTITUTED [1, 3 ] THIAZOLO [4, 5-D] PYRIMIDIN-2 (3H)-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2008-04-03 WO disclosed
EP-0824524-B1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE UPJOHN CO (US) 2004-09-08 EP disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP disclosed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 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 (3 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CCNC 495/4885CDK8 234/4885MBOAT4 3765/4885
US-12590062-B2 PD-1/PD-L1 inhibitors CD274, PDCD1LG2, PDCD1 CCNC 710/4885CDK8 225/4885MBOAT4 2886/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CCNC 495/4885CDK8 234/4885MBOAT4 3765/4885

“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.