SCHEMBL2501233

SCHEMBL2501233

Nc1cnc(Nc2ccc(C(=O)O)nc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 15/20 0.49
P4HA1 P13674 1/20 0.44
MIF P14174 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BLK P51451 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
SCHEMBL12846706 0.79 CSNK2A1 (0.50) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2500626 0.79 P4HTM (0.56) P4HTMP4HA1MIF
SCHEMBL10487101 0.79 P4HTM (0.50) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL249720 0.77 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL31359466 0.77 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL69566 0.76 P4HTM (0.63) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL9621696 0.75 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
Hydrochloric Acid SCHEMBL21485420 0.75 P4HTM (0.57) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2324574 0.75 RORC (0.57) P4HTMKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL5281904 0.74 LCK (0.58) P4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030487-B2 2-amino—5-substituted pyrimidine inhibitors TARGEGEN, INC. (US) 2011-10-04 US disclosed
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS TARGEGEN, INC. (US) 2008-01-31 US disclosed
EP-1863794-A2 PYRIMIDINE COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-12-12 EP disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 US disclosed
WO-2006101977-A2 PYRIMIDINE COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-09-28 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK P4HTM 3856/4885P4HA1 3798/4885MIF 3827/4885
US-20080027070-A1 2-AMINO--5-SUBSTITUTED PYRIMIDINE INHIBITORS KDR, FLT4, FLT1 P4HTM 3318/4885P4HA1 4111/4885MIF 2361/4885

“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.