SCHEMBL9928616

SCHEMBL9928616

CC(=O)c1cncc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
CBLB Q13191 2/20 0.36
PDE4B Q07343 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
BUB1 O43683 1/20 0.32
POLB P06746 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
AHR P35869 1/20 0.31
CDK8 P49336 1/20 0.31
CDK19 Q9BWU1 1/20 0.31
CTPS1 P17812 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
IDH1 O75874 1/20 0.31
RAF1 P04049 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL1578654 0.82 KDM4E (0.41) P2RX7CBLBALDH1A1AHR
SCHEMBL15542377 0.81 KMT2A (0.44) P2RX7CBLBKMT2AAHRCDK8
SCHEMBL172147 0.81 CBLB (0.32) P2RX7CBLBIDH1
SCHEMBL9927080 0.80 CBLB (0.39) P2RX7CBLBPDE4BKMT2ABUB1
SCHEMBL16369833 0.80 MRGPRX4 (0.40) P2RX7CBLBALDH1A1
SCHEMBL16310786 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL26675086 0.78 KDM4E (0.34) CBLBKMT2APOLB
SCHEMBL29552743 0.78 KDM4E (0.34) CBLBKMT2APOLB
SCHEMBL30305706 0.78 P2RX7 (0.36) P2RX7CBLBAHR
SCHEMBL25272192 0.76 CYP1A2 (0.47) KMT2AALDH1A1

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
CN-117120439-A FGFR3 inhibitor compounds 伊莱利利公司 2023-11-24 CN disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
CN-116056576-A Use of strobilurin type compounds for combating phytopathogenic fungi containing F129L amino acid substitutions conferring tolerance to Qo inhibitor VIII in mitochondrial cytochrome b proteins 巴斯夫欧洲公司 2023-05-02 CN disclosed
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION (US) 2015-03-26 US disclosed
US-8933085-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidine derivatives as JAK inhibitors INCYTE CORPORATION (US) 2015-01-13 US disclosed
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-06-14 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 P2RX7 1103/4885CBLB 55/4885PDE4B 1609/4885
US-20120149681-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 P2RX7 953/4885CBLB 261/4885PDE4B 1909/4885
US-20150087632-A1 CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINES DERIVATIVES AS JAK INHIBITORS JAK2, JAK1, JAK3 P2RX7 939/4885CBLB 342/4885PDE4B 2016/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 P2RX7 1103/4885CBLB 55/4885PDE4B 1609/4885

“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.