SCHEMBL1198975

SCHEMBL1198975

CCOC(=O)c1cnn(-c2nc(CI)cs2)c1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
HPGD P15428 6/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
ALDH1A1 P00352 5/20 0.67
MAPT P10636 5/20 0.67
L3MBTL1 Q9Y468 4/20 0.67
GAA P10253 3/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 1/20 0.67
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
TRPC1 P48995 1/20 0.47
TRPC3 Q13507 1/20 0.47
STIM1 Q13586 1/20 0.47
ORAI1 Q96D31 1/20 0.47
STIM2 Q9P246 1/20 0.47
GUCY1A1 Q02108 1/20 0.47
GUCY1B1 Q02153 1/20 0.47

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
SCHEMBL1198683 0.89 KDM4E (0.67) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL12875649 0.85 MAPT (0.53) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL28787228 0.84 KDM4E (0.60) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1197979 0.84 KDM4E (0.71) KDM4EHPGDMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL1198748 0.82 KDM4E (0.68) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1198481 0.81 KDM4E (0.63) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1197608 0.81 KDM4E (0.60) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1198154 0.80 KDM4E (0.62) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1198730 0.80 KDM4E (0.58) KDM4EHPGDMEN1KMT2AALDH1A1
SCHEMBL1198516 0.79 KDM4E (0.61) KDM4EHPGDMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A KDM4E 1877/4885HPGD 74/4885MEN1 2661/4885

“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.