SCHEMBL1198638

SCHEMBL1198638

O=C(O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.83
RAB9A P51151 5/20 0.83
ALDH1A1 P00352 4/20 0.82
MEN1 O00255 7/20 0.81
KMT2A Q03164 7/20 0.81
NPC1 O15118 4/20 0.81
ATM Q13315 1/20 0.77
HPGD P15428 5/20 0.74
L3MBTL1 Q9Y468 4/20 0.74
MAPT P10636 3/20 0.74
GAA P10253 2/20 0.74
TDP1 Q9NUW8 1/20 0.74
CRHBP P24387 1/20 0.73
MC4R P32245 1/20 0.73
CRHR2 Q13324 1/20 0.73
ITGB3 P05106 6/20 0.63
ITGA2B P08514 6/20 0.63
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60

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
SCHEMBL4829271 0.91 KDM4E (0.83) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1198401 0.91 KDM4E (1.00) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1198925 0.90 KDM4E (1.00) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1198727 0.90 MEN1 (1.00) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1198576 0.89 KDM4E (0.83) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL27827193 0.89 KDM4E (0.83) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1198885 0.88 KDM4E (0.81) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL4823291 0.88 KDM4E (0.81) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL1198614 0.88 KDM4E (0.81) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL28787279 0.87 KDM4E (0.68) KDM4ERAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425480-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG CHEM, LTD. (KR) 2024-12-26 US disclosed
EP-4349825-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR LG Chem, Ltd. (KR) 2024-04-10 EP disclosed
CN-117396468-A Novel pyridine derivative compounds as RON inhibitors 株式会社LG化学 2024-01-12 CN disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
CN-102056907-A Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL 2011-05-11 CN disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP 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-20240425480-A1 NOVEL PYRIDINE DERIVATIVE COMPOUND AS RON INHIBITOR RET, MST1R, ROS1 KDM4E 1907/4885RAB9A 996/4885ALDH1A1 4209/4885
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885RAB9A 2507/4885ALDH1A1 1037/4885

“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.