SCHEMBL15022112

SCHEMBL15022112

O=C(O)C1CCCN(c2nc(Cl)ncc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NOTUM Q6P988 12/20 0.45
MPL P40238 1/20 0.40
PIK3CD O00329 1/20 0.40
HCRTR2 O43614 1/20 0.39
P2RX7 Q99572 1/20 0.39
CDK9 P50750 1/20 0.39

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
SCHEMBL4076212 0.87 KDM4E (0.48) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL5348100 0.86 POLB (0.47) ALDH1A1NOTUMPIK3CDHCRTR2
SCHEMBL5347384 0.83 NEK2 (0.51) KDM4EHSD17B10NOTUMHCRTR2
SCHEMBL27794105 0.83 POLB (0.53) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL12184895 0.82 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL30919906 0.81 CCNE2 (0.41) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL30919792 0.81 CCNE2 (0.41) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL30919856 0.81 CCNE2 (0.41) ALDH1A1KMT2AKDM4EMEN1HSD17B10
SCHEMBL30919618 0.79 KDM4E (0.46) KDM4E
SCHEMBL20267965 0.78 KDM4E (0.55) ALDH1A1KMT2AKDM4EMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2600874-B1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2015-03-04 EP disclosed
US-8716281-B2 Pyrimidine compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2014-05-06 US disclosed
US-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-06-20 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 (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-20130158019-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE DCK, DTYMK, TYMS ALDH1A1 725/4885KMT2A 1393/4885KDM4E 822/4885

“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.