SCHEMBL9901975

SCHEMBL9901975

NC(=O)c1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
JAK2 O60674 1/20 0.46
CHEK1 O14757 1/20 0.46
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PIM1 P11309 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
PDK2 Q15119 1/20 0.42
MAPK8 P45983 1/20 0.42
FFAR1 O14842 1/20 0.42
CYP2C9 P11712 1/20 0.42
SCN5A Q14524 1/20 0.42
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIN2B Q13224 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
P2RX1 P51575 1/20 0.40

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
SCHEMBL8493525 0.85 AKR1C2 (0.58) AKR1C2AKR1C1TDP1PIM1MRGPRX4
SCHEMBL11858504 0.85 AKR1C2 (0.48) AKR1C2AKR1C1TDP1PIM1MRGPRX4
SCHEMBL27874547 0.85 AKR1C2 (0.48) AKR1C2AKR1C1TDP1PIM1MRGPRX4
SCHEMBL6518415 0.84 CHEK1 (0.49) AKR1C2AKR1C1JAK2CHEK1KMT2A
SCHEMBL2096507 0.83 AKR1C2 (0.47) AKR1C2AKR1C1JAK2TDP1MRGPRX4
SCHEMBL2096505 0.83 AKR1C2 (0.47) AKR1C2AKR1C1TDP1PIM1MRGPRX4
SCHEMBL21434712 0.83 KDM4E (0.57) AKR1C2AKR1C1KMT2ATDP1PIM1
SCHEMBL21434767 0.82 PDK2 (0.47) AKR1C2AKR1C1JAK2TDP1MRGPRX4
SCHEMBL2314619 0.81 CHEK1 (0.47) AKR1C2AKR1C1JAK2CHEK1KMT2A
SCHEMBL22092981 0.81 DGAT1 (0.51) JAK2CHEK1KMT2APIM1FFAR4

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
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
EP-2649063-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2013-10-16 EP disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 WO disclosed
US-3935258-A FROM A BENZAMIDE, HYPOHALITE, AMINE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 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 (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-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 AKR1C2 983/4885AKR1C1 1177/4885JAK2 1057/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 AKR1C2 993/4885AKR1C1 1226/4885JAK2 1045/4885

“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.