SCHEMBL4366118

SCHEMBL4366118

O=C(Nc1ccncc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TAAR1 Q96RJ0 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 1/20 0.50
ABCC9 O60706 2/20 0.49
ABCC8 Q09428 2/20 0.49
KCNJ11 Q14654 2/20 0.49
KCNJ8 Q15842 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
JAK2 O60674 1/20 0.49

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
SCHEMBL29054929 0.86 MDM2 (0.57) MDM2L3MBTL1KDM4EMEN1KMT2A
SCHEMBL13600207 0.84 TSHR (0.64) MEN1KMT2AMAPTNPC1TP53
SCHEMBL26623072 0.81 MDM2 (0.52) MDM2L3MBTL1KDM4EMEN1KMT2A
SCHEMBL14571967 0.81 MDM2 (0.61) MDM2L3MBTL1KDM4EMEN1KMT2A
SCHEMBL334744 0.79 L3MBTL1 (0.72) MDM2L3MBTL1KDM4ETAAR1CA12
SCHEMBL20870704 0.79 EPHX2 (0.70) MEN1KMT2ACA12CA1CA2
SCHEMBL2862896 0.79 MDM2 (0.59) MDM2L3MBTL1KDM4EMEN1KMT2A
SCHEMBL474941 0.78 HDAC1 (0.65) L3MBTL1MEN1KMT2ACA12CA1
SCHEMBL11646619 0.77 ALDH1A1 (0.64) MEN1KMT2ACA9MAPT
SCHEMBL22920041 0.77 L3MBTL1 (0.60) L3MBTL1KDM4EMEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3085697-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF USING THE SAME Incyte Holdings Corporation (US) 2016-10-26 EP disclosed
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 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 (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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP MDM2 2107/4885L3MBTL1 4137/4885KDM4E 453/4885

“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.