SCHEMBL4037033

SCHEMBL4037033

Cc1nsc2nc(C(N)C(C)C)n(Cc3ccc(F)cc3)c(=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
KIF23 Q02241 1/20 0.49
TP53 P04637 1/20 0.40
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP2C9 P11712 3/20 0.39
USP2 O75604 3/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL3865058 0.89 KIF11 (0.59) KIF11KIF23TP53CYP1A2CYP2C19
SCHEMBL4066692 0.88 KIF11 (0.48) KIF11KIF23TSHRKDM4EGAA
SCHEMBL4039113 0.87 KIF11 (0.47) KIF11KIF23TP53CYP1A2CYP3A4
SCHEMBL4037664 0.81 TP53 (0.41) KIF11KIF23TP53CYP1A2CYP3A4
SCHEMBL4046482 0.79 KIF11 (0.44) KIF11TP53CYP1A2CYP3A4CYP2C19
SCHEMBL4219107 0.77 MAPK1 (0.46) KIF11KIF23TP53CYP1A2CYP3A4
SCHEMBL5742313 0.76 KIF11 (0.58) KIF11KIF23TP53TSHRKDM4E
SCHEMBL3867473 0.76 KIF11 (0.56) KIF11KIF23TP53CYP1A2CYP2C19
SCHEMBL5316065 0.76 KIF11 (0.56) KIF11KIF23TP53CYP1A2CYP2C19
SCHEMBL3866748 0.76 KIF11 (0.85) KIF11KIF23CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-7456162-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-25 US disclosed
US-7101867-B2 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-09-05 US disclosed
US-20050187238-A1 Benzofuran derivatives, their production and use OHKAWA SHIGENORI (JP) 2005-08-25 US disclosed
EP-1136477-B1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-03-10 EP disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
US-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed
US-20020160996-A1 Benzofuran derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-10-31 US disclosed
EP-1136477-A1 BENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-26 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 (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-20050187238-A1 Benzofuran derivatives, their production and use WDR1, WDR82, CBR1 KIF11 4805/4885KIF23 4467/4885TP53 2452/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 KIF11 3886/4885KIF23 3870/4885TP53 1990/4885
US-20020160996-A1 Benzofuran derivatives, their production and use PARK7, WDR1, WHR1 KIF11 4840/4885KIF23 4655/4885TP53 3237/4885

“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.