SCHEMBL1048299

SCHEMBL1048299

COc1c(-c2cc(C(=O)O)ccc2C)cc2cnc(NC(C)C)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.42
LDHA P00338 5/20 0.41
LDHB P07195 4/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
HCAR3 P49019 1/20 0.36
PTK2 Q05397 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CHEK1 O14757 1/20 0.34
NTRK2 Q16620 1/20 0.34
PIM1 P11309 1/20 0.33
LRRK2 Q5S007 1/20 0.33
MAPK14 Q16539 2/20 0.33
ALPL P05186 1/20 0.33
PIM3 Q86V86 1/20 0.32
P4HTM Q9NXG6 1/20 0.32

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
SCHEMBL1042851 0.83 LDHA (0.38) CSNK2A1LDHALDHBMAPK14
SCHEMBL1079473 0.82 RAF1 (0.37) MAPK14
SCHEMBL1078471 0.81 BRAF (0.44) MAPK14
SCHEMBL1148664 0.81 LCK (0.53) MAPK14
SCHEMBL1517029 0.76 FGFR1 (0.43) MAPK14
SCHEMBL1517063 0.75 MAPK14 (0.42) MAPK14
SCHEMBL1076599 0.75 BRAF (0.44) MAPK14
SCHEMBL1149165 0.71 LCK (0.64) MAPK14
SCHEMBL1517098 0.71 FGFR1 (0.42) CSNK2A1LDHALDHBCSNK2A2CSNK2B
SCHEMBL1149056 0.69 LCK (0.42) MAPK14

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-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 EP disclosed
US-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-02-17 US disclosed
EP-2269993-A1 2-AMINOQUINAZOLINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2011-01-05 EP 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-20110039845-A1 2-AMINOQUINAZOLINE DERIVATIVE H1-2, H1-3, H1-0 CSNK2A1 1205/4885LDHA 1678/4885LDHB 2451/4885

“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.