SCHEMBL25898561

SCHEMBL25898561

C#CC(C)(C)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.42
KIF11 P52732 3/20 0.41
CYP19A1 P11511 3/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
LATS1 O95835 1/20 0.33
LATS2 Q9NRM7 1/20 0.33
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA1 Q09470 1/20 0.31

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
SCHEMBL23747179 0.81 HDAC8 (0.42) HDAC8KIF11CYP19A1USP2RAB9A
SCHEMBL1614526 0.77 CYP19A1 (0.41) HDAC8KIF11CYP19A1USP2RAB9A
SCHEMBL3847927 0.76 KIF11 (0.41) HDAC8KIF11CYP19A1USP2RAB9A
SCHEMBL5201995 0.76 KIF11 (0.41) HDAC8KIF11CYP19A1USP2RAB9A
SCHEMBL8585838 0.76 PYCR1 (0.43) KIF11ALDH1A1TSHR
SCHEMBL131037 0.75 MAPK1 (0.44) HDAC8MAPTALDH1A1TSHRMAPK1
SCHEMBL29138449 0.74 CYP19A1 (0.50) KIF11CYP19A1LMNA
SCHEMBL30048933 0.74 CYP19A1 (0.50) KIF11CYP19A1LMNA
SCHEMBL27526789 0.73 KIF11 (0.52) HDAC8KIF11CYP19A1USP2RAB9A
SCHEMBL186301 0.71 RAB9A (0.37) CYP19A1USP2RAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976072-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-05-07 US disclosed
EP-4359415-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2024-05-01 EP disclosed
CN-117355531-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-05 CN disclosed
US-11709427-B2 Positive resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-07-25 US disclosed
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-03-02 US disclosed
WO-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 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 (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-11709427-B2 Positive resist composition and pattern forming process EWSR1, PARG, VIM HDAC8 3829/4885KIF11 2536/4885CYP19A1 3736/4885
US-20230060354-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK HDAC8 760/4885KIF11 2313/4885CYP19A1 2309/4885
US-11976072-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK HDAC8 956/4885KIF11 2235/4885CYP19A1 3959/4885

“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.