SCHEMBL5164315

SCHEMBL5164315

Cc1cnc(NC(=O)Nc2cc(C(F)(F)F)ccc2OCC2CCCN(C)C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 4/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CHEK1 O14757 7/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ FECH P22830 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ TTR P02766 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
SCHEMBL2031893 0.89 CHEK1 (0.49) CHEK1HRH3FECHKCNH2
SCHEMBL12643242 0.89 KDM4E (0.47) CHEK1KDM4EHRH3FECHKCNH2
SCHEMBL13677587 0.89 KDM4E (0.47) CHEK1KDM4EHRH3FECHKCNH2
SCHEMBL2037624 0.89 KDM4E (0.47) CHEK1KDM4EHRH3FECHKCNH2
SCHEMBL5165878 0.88 SCN9A (0.46) IDH2TSHRCHEK1CYP2C9
SCHEMBL5178711 0.88 SCN9A (0.46) IDH2TSHRCHEK1CYP2C9
SCHEMBL5165886 0.88 SCN9A (0.46) IDH2TSHRCHEK1CYP2C9
SCHEMBL5063309 0.86 HCRTR1 (0.48) IDH2CHEK1KDM4EHRH3HCRTR1
SCHEMBL5164420 0.85 CHEK1 (0.44) CHEK1HRH3FECHKCNH2
SCHEMBL5163065 0.85 CHEK1 (0.49) IDH2TSHRCHEK1CYP1A2CYP2C9

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
CN-101006075-A Bisarylurea derivatives useful for inhibiting CHK1 ICOS CORP (US) 2007-07-25 — — CN claimed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 — — US disclosed
CN-101006075-A Bisarylurea derivatives useful for inhibiting CHK1 ICOS CORP (US) 2007-07-25 — — CN disclosed
EP-1765808-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS Corporation (US) 2007-03-28 — — EP disclosed
CN-1882342-A Use of CHK1 inhibitors to control cell proliferation ICOS CORP (US) 2006-12-20 — — CN disclosed
WO-2006012308-A1 BISARYLUREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2006-02-02 — — 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 (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-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C IDH2 917/4885TSHR 3502/4885CHEK1 1/4885

“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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