SCHEMBL6985291

SCHEMBL6985291

CNc1ncc(C(F)(F)F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
POLB P06746 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 5/20 0.41
ALOX12 P18054 1/20 0.40
AGTR1 P30556 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL4368849 0.82 AGBL2 (0.44) AGBL2LMNAHTTPOLBSMN1; SMN2
SCHEMBL26039496 0.82 SMN1; SMN2 (0.42) AGBL2LMNAHTTPOLBSMN1; SMN2
SCHEMBL23283131 0.81 KIF11 (0.50) LMNAALDH1A1KDM4E
SCHEMBL31390546 0.81 SMN1; SMN2 (0.59) LMNAHTTPOLBSMN1; SMN2KMT2A
SCHEMBL29431605 0.81 CFTR (0.43) POLBSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL115114 0.81 CFTR (0.43) POLBSMN1; SMN2KMT2ATDP1MEN1
SCHEMBL6676058 0.81 SMN1; SMN2 (0.59) LMNAHTTPOLBSMN1; SMN2KMT2A
SCHEMBL31390547 0.81 SMN1; SMN2 (0.59) LMNAHTTPOLBSMN1; SMN2KMT2A
SCHEMBL9952362 0.81 SMN1; SMN2 (0.41) AGBL2LMNAHTTPOLBSMN1; SMN2
SCHEMBL27284543 0.81 SMN1; SMN2 (0.44) AGBL2LMNAHTTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109001-A1 GCN2 AND PERK KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2022-05-27 WO disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-8183275-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-05-22 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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 (3 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-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR AGBL2 2676/4885LMNA 3141/4885HTT 3120/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R AGBL2 2703/4885LMNA 3003/4885HTT 1879/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R AGBL2 2346/4885LMNA 3841/4885HTT 1387/4885

“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.