SCHEMBL5063309

SCHEMBL5063309

Cc1ccc(OCC2CCCN(C)C2)c(NC(=O)Nc2cnc(C(F)(F)F)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 8/20 0.48
▸ KDM4E B2RXH2 1/20 0.45
▸ IDH2 P48735 1/20 0.42
▸ CHEK1 O14757 5/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ GCK P35557 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
SCHEMBL13677587 0.90 KDM4E (0.47) KDM4ECHEK1HRH3
SCHEMBL12643242 0.90 KDM4E (0.47) KDM4ECHEK1HRH3
SCHEMBL2037624 0.90 KDM4E (0.47) KDM4ECHEK1HRH3
SCHEMBL5066850 0.88 SCN9A (0.48) HCRTR1KDM4EIDH2CHEK1HCRTR2
SCHEMBL5164315 0.86 IDH2 (0.46) HCRTR1KDM4EIDH2CHEK1HCRTR2
SCHEMBL13997115 0.85 CHEK1 (0.48) HCRTR1KDM4EIDH2CHEK1
Hydrochloric Acid SCHEMBL5059305 0.84 CHEK1 (0.47) HCRTR1KDM4EIDH2CHEK1
SCHEMBL2036333 0.84 KDM4E (0.51) KDM4ECHEK1
SCHEMBL2031893 0.83 CHEK1 (0.49) CHEK1HRH3
SCHEMBL2036172 0.82 KDM4E (0.41) HCRTR1KDM4EHCRTR2HRH3

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
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US claimed
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US disclosed
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US disclosed
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 ICOS CORPORATION (US) 2008-12-25 — — US disclosed
CN-101115727-A Compounds for inhibition of CHK1 ICOS CORP (US) 2008-01-30 — — CN disclosed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 — — US disclosed
EP-1778648-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-05-02 — — EP disclosed
WO-2006021002-A2 COMPOUNDS USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-23 — — 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 (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-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C HCRTR1 3905/4885KDM4E 1263/4885IDH2 917/4885
US-20080318974-A1 Compounds Useful for Inhibiting Chk1 CHEK1, PCNA, CHEK2 HCRTR1 4805/4885KDM4E 2395/4885IDH2 742/4885

“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.

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