SCHEMBL20740522

SCHEMBL20740522

Cc1c(C(F)(F)F)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
LPL P06858 10/20 0.37
LIPG Q9Y5X9 10/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
F2 P00734 1/20 0.34
F11 P03951 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
EGFR P00533 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CSF1R P07333 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL22923019 0.80 LPL (0.46) IDO1TDO2LPLLIPGIRAK4
SCHEMBL31153 0.73 GPR3 (0.48) LPLLIPGIRAK4PRMT5WDR77
SCHEMBL16291887 0.73 NQO2 (0.49) IDO1TDO2LPLLIPGIRAK4
SCHEMBL30895247 0.71 IDO1 (0.38) IDO1TDO2LPLLIPGIRAK4
SCHEMBL29856116 0.71 LPL (0.39) IDO1TDO2LPLLIPGIRAK4
SCHEMBL20186942 0.71 LPL (0.39) IDO1TDO2LPLLIPGIRAK4
SCHEMBL15947140 0.70 LPL (0.44) LPLLIPGIRAK4F11PRMT5
SCHEMBL26923911 0.70 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL30692214 0.70 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL10171026 0.70 CSF1R (0.43) IDO1TDO2LPLLIPGIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3444246-B1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) 2019-11-06 EP disclosed
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors Shanghai Xunhe Pharmaceutical Technology Co. Ltd. (CN) 2019-11-05 US disclosed
US-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CHENGDU JINRUI FOUNDATION BIOTECH CO., LTD. (CN) 2019-03-07 US disclosed
EP-3444246-A1 2,4-DISUBSTITUTED PYRIMIDINE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) 2019-02-20 EP 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-20190071427-A1 2,4-Disubstituted Pyrimidine Derivative as CDK Inhibitor and Use Thereof CDK4, CDK2, CDK6 IDO1 2955/4885TDO2 2195/4885LPL 3689/4885
US-10464927-B2 2,4-disubstituted pyrimidines as CDK inhibitors CDK4, CDK2, CDK6 IDO1 3078/4885TDO2 2385/4885LPL 3544/4885

“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.