SCHEMBL929688

SCHEMBL929688

COc1cnc(C(F)(F)F)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.40
P2RX3 P56373 4/20 0.35
P2RX2 Q9UBL9 4/20 0.35
CHEK1 O14757 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
TSHR P16473 3/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PMP22 Q01453 2/20 0.33

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
SCHEMBL30018060 1.00 PDE10A (0.40) PDE10AP2RX3P2RX2CHEK1TRPV4
SCHEMBL30358920 0.85 PDE10A (0.40) PDE10AP2RX3P2RX2CHEK1TRPV4
SCHEMBL29192556 0.85 PDE10A (0.40) PDE10AP2RX3P2RX2CHEK1TRPV4
SCHEMBL22161741 0.79 PDE10A (0.40) PDE10ACHEK1TRPV4TSHRALDH1A1
SCHEMBL7919171 0.79 PDE10A (0.38) PDE10ACHEK1TRPV4TSHRALDH1A1
SCHEMBL7916902 0.78 PDE10A (0.40) PDE10AP2RX3P2RX2CHEK1TRPV4
SCHEMBL19899535 0.78 CA2 (0.41) PDE10ACHEK1TSHRCYP1A2CYP3A4
SCHEMBL20869096 0.77 PDE10A (0.37) PDE10ACHEK1TRPV4TSHRCYP1A2
SCHEMBL20855529 0.76 PDE10A (0.42) PDE10ACHEK1TRPV4TSHRALDH1A1
SCHEMBL17949359 0.76 TRPV4 (0.41) TRPV4CA2CHKA

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-08-29 US disclosed
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
EP-4352055-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2024-04-17 EP disclosed
CN-117794927-A O-linked thiadiazolyl compounds as inhibitors of DNA polymerase theta 伊迪亚生物科学有限公司 2024-03-29 CN disclosed
WO-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 WO disclosed
WO-2022259204-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2022-12-15 WO disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
EP-2448941-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2012-05-09 EP disclosed
WO-2011003065-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2011-01-06 WO disclosed
WO-2011003065-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2011-01-06 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 (5 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PDE10A 2878/4885P2RX3 2318/4885P2RX2 2308/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PDE10A 2878/4885P2RX3 2318/4885P2RX2 2308/4885
US-20240287080-A1 O-LINKED THIADIAZOLYL COMPOUNDS AS DNA POLYMERASE THETA INHIBITORS POLQ, POLK, POLB PDE10A 2813/4885P2RX3 3069/4885P2RX2 3254/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PDE10A 2878/4885P2RX3 2318/4885P2RX2 2308/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 PDE10A 2878/4885P2RX3 2318/4885P2RX2 2308/4885

“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.