SCHEMBL5348271

SCHEMBL5348271

CCC(Br)c1nc2oc(Br)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CACNA2D1 P54289 1/20 0.38
KIF11 P52732 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5354342 0.80 KIF11 (0.41) HPGDALDH1A1GAAPDE4APDE4B
SCHEMBL2351103 0.80 PDE4A (0.56) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL7257039 0.80 PDE4A (0.56) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL5107000 0.78 KIF11 (0.56) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL5522521 0.76 KIF11 (0.56) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL5561425 0.76 PDE4A (0.60) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL3875862 0.76 KIF11 (0.56) HPGDALDH1A1GAACYP1A2CYP2D6
SCHEMBL4101714 0.76 PDE4A (0.44) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL6017457 0.75 TLR7 (0.43) HPGDALDH1A1GAAPDE4APDE4B
SCHEMBL5787691 0.74 PDE4A (0.53) HPGDALDH1A1GAAPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
EP-1465896-A4 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2006-01-11 EP disclosed
US-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung MERCK SHARP & DOHME CORP. 2005-02-10 US disclosed
EP-1465896-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2004-10-13 EP disclosed
WO-2003050122-A2 MITOTIC KINESIN INHIBITORS MERCK & CO., INC. (US) 2003-06-19 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-20050032817-A1 Kinesin spindle protein (KSP) inhibitors, e.g., 3-benzyl-2-(1-{(4-bromobenzyl)[2-(dimethylamino)ethyl]amino}propyl)furo[2,3-d]pyrimidin-4(3H)-one; antiproliferative and -carcinogenic agents; side effects reduction; cancers of the brain, genitourinary tract, lymphatic system, stomach, larynx and lung KIF2C, KIFC1, KIF5B HPGD 3475/4885ALDH1A1 1544/4885GAA 1831/4885

“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.