SCHEMBL10076322

SCHEMBL10076322

Cc1cnc(NC(=O)Nc2cc(Cl)ccc2OCC2CN(C)CCN2C)cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 16/20 0.54
▸ CHEK2 O96017 2/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ PRKCD Q05655 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ FECH P22830 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL305537 0.91 KDM4E (0.45) CHEK1CHEK2AKT1FECHKCNH2
SCHEMBL305619 0.86 CHEK1 (0.52) CHEK1CHEK2AKT1MEN1KMT2A
SCHEMBL305230 0.86 CHEK1 (0.52) CHEK1CHEK2AKT1MEN1KMT2A
SCHEMBL305231 0.86 CHEK1 (0.52) CHEK1CHEK2AKT1MEN1KMT2A
SCHEMBL306083 0.84 CHEK1 (0.52) CHEK1CHEK2AKT1MEN1KMT2A
SCHEMBL306082 0.84 CHEK1 (0.52) CHEK1CHEK2AKT1MEN1KMT2A
SCHEMBL305298 0.83 CHEK1 (0.51) CHEK1CHEK2AKT1MEN1KMT2A
SCHEMBL305539 0.82 CHEK1 (0.56) CHEK1CHEK2AKT1AURKA
SCHEMBL10076321 0.81 CHEK1 (0.42) CHEK1CHEK2AKT1FECHKCNH2
SCHEMBL5190247 0.80 CHEK1 (0.51) CHEK1CHEK2AKT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455471-B2 Compositions of CHK1 inhibitors and cyclodextrin ICOS CORPORATION (US) 2013-06-04 — — US disclosed
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 — — US disclosed
US-8093244-B2 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS CORPORATION (US) 2012-01-10 — — US disclosed
EP-2330105-A1 Heteroaryl urea derivatives useful for inhibiting CHK1 ICOS Corporation (US) 2011-06-08 — — EP disclosed
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN WISDOM WENDY A 2010-01-28 — — US disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US disclosed
US-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 ICOS CORPORATION (US) 2009-06-04 — — US 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-20090143357-A1 HETEROARYL UREA DERIVATIVES USEFUL FOR INHIBITING CHK1 CHEK1, CHEK2, PCNA CHEK1 1/4885CHEK2 2/4885AKT1 1469/4885
US-20100022512-A1 COMPOSITIONS OF CHK1 INHIBITORS AND CYCLODEXTRIN CHEK1, CHEK2, DDB1 CHEK1 1/4885CHEK2 2/4885AKT1 440/4885

“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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