SCHEMBL5489353

SCHEMBL5489353

CC(C)C(N)c1nc2cnccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
RAD1 O60671 1/20 0.45
CFTR P13569 1/20 0.45
APEX1 P27695 1/20 0.45
CASP6 P55212 1/20 0.45
RAD51 Q06609 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
GOPC Q9HD26 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.44
POLB P06746 1/20 0.44
CYP2C19 P33261 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL5118303 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMAPTRAD1
SCHEMBL13577682 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMAPTRAD1
SCHEMBL4320409 0.86 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMAPTRAD1
SCHEMBL5648396 0.82 KIF11 (0.56) ALDH1A1TDP1RAB9APOLBCYP2C19
SCHEMBL4283747 0.82 KIF11 (0.56) ALDH1A1TDP1RAB9APOLBCYP2C19
SCHEMBL4519529 0.82 KIF11 (0.56) ALDH1A1TDP1RAB9APOLBCYP2C19
SCHEMBL14367272 0.79 PDE4A (0.57) ALDH1A1KDM4EKMT2AMAPTRAB9A
SCHEMBL14522636 0.79 PDE4A (0.57) ALDH1A1KDM4EKMT2AMAPTRAB9A
SCHEMBL4314434 0.79 PDE4A (0.52) ALDH1A1KDM4EKMT2AMAPTRAD1
SCHEMBL5062373 0.78 KIF11 (0.51) ALDH1A1KDM4EKMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-7632839-B2 Mitotic kinesin inhibitors MERCK & CO. INC. (US) 2009-12-15 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-20080139586-A1 Mitotic Kinesin Inhibitors MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
EP-1855664-A2 MITOTIC KINESIN INHIBITORS Merck & Co., Inc. (US) 2007-11-21 EP disclosed
WO-2006078575-A2 FLUORINATED AMINOALKYL-4-OXO-3,4-DIHYDROPYRIDO[3,4- D] PYRIMIDINES AS INHIBITORS OF MITOTIC KINESINS MERCK & CO., INC. (US) 2006-07-27 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-20080139586-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIFC1 ALDH1A1 2486/4885KDM4E 473/4885KMT2A 454/4885

“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.