SCHEMBL3113554

SCHEMBL3113554

Cn1ncc(N)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.37
BCDIN3D Q7Z5W3 6/20 0.35
ACSS2 Q9NR19 1/20 0.33
KIF11 P52732 1/20 0.33
BRD4 O60885 2/20 0.31
BRD9 Q9H8M2 2/20 0.31
BPTF Q12830 1/20 0.31
KAT2B Q92831 1/20 0.31
LPAR1 Q92633 1/20 0.31
VNN1 O95497 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6065937 0.78 GAA (0.35) KCNN4KIF11
SCHEMBL4204205 0.78 ALDH1A1 (0.41) LPAR1VNN1HPGDMAPK1
SCHEMBL6065962 0.78 LPAR1 (0.36) KCNN4BCDIN3DLPAR1VNN1CYP1A2
SCHEMBL6133264 0.77 KCNN4 (0.37) KCNN4BCDIN3DACSS2KIF11BRD4
SCHEMBL4205063 0.77 ALDH1A1 (0.36) KCNN4BCDIN3DACSS2BRD4BRD9
SCHEMBL20539675 0.77 HPGD (0.41) KCNN4CYP1A2CYP3A4CYP2D6LMNA
SCHEMBL17853170 0.77 KDM4C (0.42) KCNN4LPAR1VNN1
SCHEMBL6065837 0.77 LPAR1 (0.37) BRD4BRD9BPTFKAT2BLPAR1
SCHEMBL5147620 0.76 KIF11 (0.36) KCNN4BCDIN3DACSS2KIF11BRD4
SCHEMBL3119092 0.75 LPAR1 (0.38) BRD4BRD9BPTFKAT2BLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 WO disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (3 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 KCNN4 3757/4885BCDIN3D 3844/4885ACSS2 1009/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KCNN4 3863/4885BCDIN3D 3426/4885ACSS2 1294/4885
US-20050096306-A1 Cephem compounds CEP170, ASS1, C1S KCNN4 2885/4885BCDIN3D 2114/4885ACSS2 573/4885

“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.