SCHEMBL4226720

SCHEMBL4226720

Cc1nc(N[C@@H]2CCN(CC3CCCCC3)C2)ncc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.40
TYRO3 Q06418 2/20 0.40
MERTK Q12866 2/20 0.40
GAS6 Q14393 2/20 0.40
CXCR4 P61073 1/20 0.38
MAPK1 P28482 1/20 0.37
CCND1 P24385 5/20 0.36
CDK4 P11802 4/20 0.36
CCNK O75909 2/20 0.36
CDK12 Q9NYV4 2/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
OPRK1 P41145 2/20 0.35
EHMT2 Q96KQ7 1/20 0.35
MELK Q14680 1/20 0.35
CCR1 P32246 2/20 0.35
CCNE1 P24864 5/20 0.35
CDK2 P24941 5/20 0.35
CDK6 Q00534 4/20 0.35
CCNT1 O60563 3/20 0.35

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
SCHEMBL5171720 1.00 FLT3 (0.40) FLT3TYRO3MERTKGAS6CXCR4
SCHEMBL5171749 0.86 FLT3 (0.41) FLT3TYRO3MERTKGAS6CXCR4
SCHEMBL4220986 0.86 FLT3 (0.41) FLT3TYRO3MERTKGAS6CXCR4
SCHEMBL4220979 0.86 FLT3 (0.41) FLT3TYRO3MERTKGAS6CXCR4
SCHEMBL4222519 0.83 FLT3 (0.40) FLT3TYRO3MERTKGAS6CXCR4
Hydrochloric Acid SCHEMBL4218549 0.83 FLT3 (0.39) FLT3TYRO3MERTKGAS6MAPK1
Hydrochloric Acid SCHEMBL5171796 0.83 FLT3 (0.39) FLT3TYRO3MERTKGAS6MAPK1
Hydrochloric Acid SCHEMBL4218561 0.83 FLT3 (0.39) FLT3TYRO3MERTKGAS6MAPK1
SCHEMBL27696235 0.80 CCNK (0.41) FLT3TYRO3MERTKGAS6CCNK
SCHEMBL4216124 0.79 CXCR4 (0.56) CXCR4MAPK1OPRK1

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-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 FLT3 2212/4885TYRO3 1854/4885MERTK 2704/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 FLT3 1870/4885TYRO3 2105/4885MERTK 3143/4885

“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.