SCHEMBL1980340

SCHEMBL1980340

COc1c(F)ccc(NC(=O)C(C)(C)C)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
ALOX12 P18054 2/20 0.39
CETP P11597 1/20 0.39
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ABCB1 P08183 3/20 0.36
MEN1 O00255 3/20 0.36

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
SCHEMBL30223299 1.00 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL24073391 0.79 LMNA (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL30223290 0.79 LMNA (0.39) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL15845739 0.78 KDM4E (0.40) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL31355572 0.78 KDM4E (0.37) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL4622913 0.78 KDM4E (0.37) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1285563 0.76 PDK1 (0.38) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL15845612 0.73 KDM4E (0.42) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL1983314 0.73 KDM4E (0.57) KDM4EPDK1PDK2PDK3PDK4
SCHEMBL2432483 0.71 MEN1 (0.44) PDK1PDK2PDK3PDK4L3MBTL1

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
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
WO-2021239133-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR 南京正大天晴制药有限公司 2021-12-02 WO disclosed
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 WO disclosed
WO-2011070299-A1 TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 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 (1 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-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP KDM4E 2147/4885PDK1 1044/4885PDK2 936/4885

“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.