SCHEMBL4480018

SCHEMBL4480018

Cc1ccc(NC(=N)c2ccccc2Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 5/20 0.43
MAPT P10636 6/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
STING1 Q86WV6 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL28563351 0.74 KMT2A (0.50) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16489239 0.74 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL16489226 0.71 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1753018 0.69 MEN1 (0.51) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL19902755 0.69 KMT2A (0.43) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16489223 0.69 KMT2A (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5666204 0.69 FADS1 (0.67) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13962554 0.68 KMT2A (0.59) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4122903 0.68 NPC1 (0.71) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4118553 0.68 NPC1 (0.69) LMNANPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625912-B2 2-Phenylpyrimidinone compounds; anticarcinogenic agents can be synergistically combined with one or more active ingredients such as paclitaxel or trastuzumab; side effect reduction MERCK & CO. INC (US) 2009-12-01 US disclosed
US-7625912-B2 2-Phenylpyrimidinone compounds; anticarcinogenic agents can be synergistically combined with one or more active ingredients such as paclitaxel or trastuzumab; side effect reduction MERCK & CO. INC (US) 2009-12-01 US disclosed
US-7625912-B2 2-Phenylpyrimidinone compounds; anticarcinogenic agents can be synergistically combined with one or more active ingredients such as paclitaxel or trastuzumab; side effect reduction MERCK & CO. INC (US) 2009-12-01 US disclosed
US-20070129356-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129356-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-20070129356-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
EP-1697331-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005060654-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2005-07-07 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 (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-20070129356-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B LMNA 2852/4885NPC1 1332/4885RAB9A 1551/4885

“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.